2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide

C23H25N3O2 — CID 97445389

IUPAC2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c27-22-15-20(19-10-4-5-11-21(19)25-22)23(28)24-12-14-26-13-6-9-18(16-26)17-7-2-1-3-8-17/h1-5,7-8,10-11,15,18H,6,9,12-14,16H2,(H,24,28)(H,25,27)/t18-/m0/s1
InChIKeyMPZZSPGKHHEMDU-SFHVURJKSA-N
MW375.47 g/mol
LogP3.14
Rot. Bonds5

About 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide

2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide (PubChem CID 97445389) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
PubChem CID97445389
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H25N3O2/c27-22-15-20(19-10-4-5-11-21(19)25-22)23(28)24-12-14-26-13-6-9-18(16-26)17-7-2-1-3-8-17/h1-5,7-8,10-11,15,18H,6,9,12-14,16H2,(H,24,28)(H,25,27)/t18-/m0/s1
InChIKeyMPZZSPGKHHEMDU-SFHVURJKSA-N
XLogP3.14
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97116888
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 74245133
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 131910534
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532
1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide (CID 97445389) is 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide is O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide?
The InChIKey is MPZZSPGKHHEMDU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-15-20(19-10-4-5-11-21(19)25-22)23(28)24-12-14-26-13-6-9-18(16-26)17-7-2-1-3-8-17/h1-5,7-8,10-11,15,18H,6,9,12-14,16H2,(H,24,28)(H,25,27)/t18-/m0/s1.
What are the key properties of 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97445389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).