(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

C22H30N4O — CID 58665278

IUPAC(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C
InChIInChI=1S/C22H30N4O/c1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27)/t17-/m0/s1
InChIKeyQVDKLVAXDZWTPC-KRWDZBQOSA-N
MW366.51 g/mol
LogP4.43
Rot. Bonds2

About (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 58665278) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID58665278
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C
InChIInChI=1S/C22H30N4O/c1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27)/t17-/m0/s1
InChIKeyQVDKLVAXDZWTPC-KRWDZBQOSA-N
XLogP4.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 58665278) is (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C.
What is the InChIKey of (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is QVDKLVAXDZWTPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 58665278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).