N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide

C28H31ClN4O2 — CID 72703844

IUPACN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide
SMILESO=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc2ncccc2c1
InChIInChI=1S/C28H31ClN4O2/c29-25-9-8-24(32-28(35)21-7-10-26-20(16-21)4-3-13-30-26)17-22(25)18-33-14-11-19(12-15-33)27(34)31-23-5-1-2-6-23/h3-4,7-10,13,16-17,19,23H,1-2,5-6,11-12,14-15,18H2,(H,31,34)(H,32,35)
InChIKeyZIKGSZQZIJCSBU-UHFFFAOYSA-N
MW491.04 g/mol
LogP5.41
Rot. Bonds6

About N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide

N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide (PubChem CID 72703844) has the molecular formula C28H31ClN4O2 and a molecular weight of 491.04 g/mol. Its IUPAC name is N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide
PubChem CID72703844
Molecular FormulaC28H31ClN4O2
Molecular Weight491.04 g/mol
Exact Mass490.21
IUPAC NameN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide
SMILESO=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc2ncccc2c1
InChIInChI=1S/C28H31ClN4O2/c29-25-9-8-24(32-28(35)21-7-10-26-20(16-21)4-3-13-30-26)17-22(25)18-33-14-11-19(12-15-33)27(34)31-23-5-1-2-6-23/h3-4,7-10,13,16-17,19,23H,1-2,5-6,11-12,14-15,18H2,(H,31,34)(H,32,35)
InChIKeyZIKGSZQZIJCSBU-UHFFFAOYSA-N
XLogP5.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.04
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
CID 118521845
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide
CID 44526599
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909920
N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 91667484
N-(1-benzylpiperidin-4-yl)-1-[6-(quinolin-6-ylamino)pyridazin-3-yl]piperidine-4-carboxamide
CID 117086991
1-[(2-chlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 45016892
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methoxypyridine-3-carboxamide
CID 72704841
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide?
The IUPAC name of N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide (CID 72703844) is N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide?
The canonical SMILES for N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide is O=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc2ncccc2c1.
What is the InChIKey of N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide?
The InChIKey is ZIKGSZQZIJCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4O2/c29-25-9-8-24(32-28(35)21-7-10-26-20(16-21)4-3-13-30-26)17-22(25)18-33-14-11-19(12-15-33)27(34)31-23-5-1-2-6-23/h3-4,7-10,13,16-17,19,23H,1-2,5-6,11-12,14-15,18H2,(H,31,34)(H,32,35).
What are the key properties of N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide?
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide has a molecular weight of 491.04 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 72703844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).