N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide

C25H26N4O2 — CID 134032376

IUPACN-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CCCC(C(=O)Nc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C25H26N4O2/c30-24(26-18-8-2-1-3-9-18)17-7-6-14-29(16-17)23-15-21(25(31)27-19-12-13-19)20-10-4-5-11-22(20)28-23/h1-5,8-11,15,17,19H,6-7,12-14,16H2,(H,26,30)(H,27,31)
InChIKeyGBMKFNXXNVJUMC-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.98
Rot. Bonds5

About N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide

N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide (PubChem CID 134032376) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
PubChem CID134032376
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CCCC(C(=O)Nc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C25H26N4O2/c30-24(26-18-8-2-1-3-9-18)17-7-6-14-29(16-17)23-15-21(25(31)27-19-12-13-19)20-10-4-5-11-22(20)28-23/h1-5,8-11,15,17,19H,6-7,12-14,16H2,(H,26,30)(H,27,31)
InChIKeyGBMKFNXXNVJUMC-UHFFFAOYSA-N
XLogP3.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 112812673
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3aS,6aR)-2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063399
N-cyclopropyl-2-[2-(2-methylphenyl)morpholin-4-yl]quinoline-4-carboxamide
CID 133354287
N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
CID 133486230
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
N-cyclopropyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 133281334
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide (CID 134032376) is N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide is O=C(NC1CC1)c1cc(N2CCCC(C(=O)Nc3ccccc3)C2)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide?
The InChIKey is GBMKFNXXNVJUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(26-18-8-2-1-3-9-18)17-7-6-14-29(16-17)23-15-21(25(31)27-19-12-13-19)20-10-4-5-11-22(20)28-23/h1-5,8-11,15,17,19H,6-7,12-14,16H2,(H,26,30)(H,27,31).
What are the key properties of N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide?
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 134032376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).