4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide

C97H119BrCl4N20O5 — CID 159376904

IUPAC4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Br)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1
InChIInChI=1S/2C20H25ClN4O.C19H23BrN4O.2C19H23ClN4O/c1-14(2)16-6-8-17(9-7-16)23-20(26)24-11-12-25(15(3)13-24)19-18(21)5-4-10-22-19;1-2-3-5-16-7-9-17(10-8-16)23-20(26)25-14-12-24(13-15-25)19-18(21)6-4-11-22-19;1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;1-3-15-6-8-16(9-7-15)22-19(25)23-11-12-24(14(2)13-23)18-17(20)5-4-10-21-18;1-2-4-15-6-8-16(9-7-15)22-19(25)24-13-11-23(12-14-24)18-17(20)5-3-10-21-18/h4-10,14-15H,11-13H2,1-3H3,(H,23,26);4,6-11H,2-3,5,12-15H2,1H3,(H,23,26);3-9,14H,10-13H2,1-2H3,(H,22,25);4-10,14H,3,11-13H2,1-2H3,(H,22,25);3,5-10H,2,4,11-14H2,1H3,(H,22,25)
InChIKeyLKKYEFAQJRUWPU-UHFFFAOYSA-N
MW1866.87 g/mol
LogP21.44
Rot. Bonds18

About 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide

4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide (PubChem CID 159376904) has the molecular formula C97H119BrCl4N20O5 and a molecular weight of 1866.87 g/mol. Its IUPAC name is 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide
PubChem CID159376904
Molecular FormulaC97H119BrCl4N20O5
Molecular Weight1866.87 g/mol
Exact Mass1862.76
IUPAC Name4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Br)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1
InChIInChI=1S/2C20H25ClN4O.C19H23BrN4O.2C19H23ClN4O/c1-14(2)16-6-8-17(9-7-16)23-20(26)24-11-12-25(15(3)13-24)19-18(21)5-4-10-22-19;1-2-3-5-16-7-9-17(10-8-16)23-20(26)25-14-12-24(13-15-25)19-18(21)6-4-11-22-19;1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;1-3-15-6-8-16(9-7-15)22-19(25)23-11-12-24(14(2)13-23)18-17(20)5-4-10-21-18;1-2-4-15-6-8-16(9-7-15)22-19(25)24-13-11-23(12-14-24)18-17(20)5-3-10-21-18/h4-10,14-15H,11-13H2,1-3H3,(H,23,26);4,6-11H,2-3,5,12-15H2,1H3,(H,23,26);3-9,14H,10-13H2,1-2H3,(H,22,25);4-10,14H,3,11-13H2,1-2H3,(H,22,25);3,5-10H,2,4,11-14H2,1H3,(H,22,25)
InChIKeyLKKYEFAQJRUWPU-UHFFFAOYSA-N
XLogP21.44
TPSA242.35 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms127
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001866.87
LogP ≤ 521.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide (CID 159376904) is 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Br)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.CCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.CCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)C(C)C2)cc1.
What is the InChIKey of 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The InChIKey is LKKYEFAQJRUWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H25ClN4O.C19H23BrN4O.2C19H23ClN4O/c1-14(2)16-6-8-17(9-7-16)23-20(26)24-11-12-25(15(3)13-24)19-18(21)5-4-10-22-19;1-2-3-5-16-7-9-17(10-8-16)23-20(26)25-14-12-24(13-15-25)19-18(21)6-4-11-22-19;1-14(2)15-5-7-16(8-6-15)22-19(25)24-12-10-23(11-13-24)18-17(20)4-3-9-21-18;1-3-15-6-8-16(9-7-15)22-19(25)23-11-12-24(14(2)13-23)18-17(20)5-4-10-21-18;1-2-4-15-6-8-16(9-7-15)22-19(25)24-13-11-23(12-14-24)18-17(20)5-3-10-21-18/h4-10,14-15H,11-13H2,1-3H3,(H,23,26);4,6-11H,2-3,5,12-15H2,1H3,(H,23,26);3-9,14H,10-13H2,1-2H3,(H,22,25);4-10,14H,3,11-13H2,1-2H3,(H,22,25);3,5-10H,2,4,11-14H2,1H3,(H,22,25).
What are the key properties of 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide has a molecular weight of 1866.87 g/mol, XLogP of 21.44, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-3-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 159376904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).