N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide

C23H34ClN3O2 — CID 24738063

IUPACN-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C23H34ClN3O2/c1-16(2)20(25-21(28)17-7-5-6-8-17)22(29)26-13-14-27(23(3,4)15-26)19-11-9-18(24)10-12-19/h9-12,16-17,20H,5-8,13-15H2,1-4H3,(H,25,28)/t20-/m1/s1
InChIKeyAHKAIGXAFJEQRP-HXUWFJFHSA-N
MW420.00 g/mol
LogP4.10
Rot. Bonds5

About N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide

N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 24738063) has the molecular formula C23H34ClN3O2 and a molecular weight of 420.00 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID24738063
Molecular FormulaC23H34ClN3O2
Molecular Weight420.00 g/mol
Exact Mass419.23
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1
InChIInChI=1S/C23H34ClN3O2/c1-16(2)20(25-21(28)17-7-5-6-8-17)22(29)26-13-14-27(23(3,4)15-26)19-11-9-18(24)10-12-19/h9-12,16-17,20H,5-8,13-15H2,1-4H3,(H,25,28)/t20-/m1/s1
InChIKeyAHKAIGXAFJEQRP-HXUWFJFHSA-N
XLogP4.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide 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 N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide (CID 24738063) is N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide is CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is AHKAIGXAFJEQRP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H34ClN3O2/c1-16(2)20(25-21(28)17-7-5-6-8-17)22(29)26-13-14-27(23(3,4)15-26)19-11-9-18(24)10-12-19/h9-12,16-17,20H,5-8,13-15H2,1-4H3,(H,25,28)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide?
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 420.00 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24738063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).