N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide

C28H32N4O2 — CID 118521845

IUPACN-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C28H32N4O2/c33-27(30-24-8-2-3-9-24)21-12-14-32(15-13-21)19-20-6-5-10-25(16-20)31-28(34)23-17-22-7-1-4-11-26(22)29-18-23/h1,4-7,10-11,16-18,21,24H,2-3,8-9,12-15,19H2,(H,30,33)(H,31,34)
InChIKeyONHXOYWTUXPDPT-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.76
Rot. Bonds6

About N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide

N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide (PubChem CID 118521845) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
PubChem CID118521845
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC NameN-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1cnc2ccccc2c1
InChIInChI=1S/C28H32N4O2/c33-27(30-24-8-2-3-9-24)21-12-14-32(15-13-21)19-20-6-5-10-25(16-20)31-28(34)23-17-22-7-1-4-11-26(22)29-18-23/h1,4-7,10-11,16-18,21,24H,2-3,8-9,12-15,19H2,(H,30,33)(H,31,34)
InChIKeyONHXOYWTUXPDPT-UHFFFAOYSA-N
XLogP4.76
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-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

N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide
CID 72704841
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 118521906
N-[3-[[4-[(3,3-difluorocyclohexyl)carbamoyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
CID 154440815
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide
CID 72703844
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-cyclohexyl-1-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 72705225
2-N-(1-benzylpiperidin-4-yl)-5-N-(3-phenylphenyl)pyridine-2,5-dicarboxamide
CID 66710236
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide?
The IUPAC name of N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide (CID 118521845) is N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide is O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1cnc2ccccc2c1.
What is the InChIKey of N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide?
The InChIKey is ONHXOYWTUXPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c33-27(30-24-8-2-3-9-24)21-12-14-32(15-13-21)19-20-6-5-10-25(16-20)31-28(34)23-17-22-7-1-4-11-26(22)29-18-23/h1,4-7,10-11,16-18,21,24H,2-3,8-9,12-15,19H2,(H,30,33)(H,31,34).
What are the key properties of N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide?
N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide has a molecular weight of 456.59 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 118521845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).