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

C18H22N4O3 — CID 72874902

IUPACN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H22N4O3/c19-17(24)12-4-3-8-22(11-12)9-7-20-18(25)14-10-16(23)21-15-6-2-1-5-13(14)15/h1-2,5-6,10,12H,3-4,7-9,11H2,(H2,19,24)(H,20,25)(H,21,23)
InChIKeyMVYYLUHNKDWESM-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.46
Rot. Bonds5

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

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 72874902) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID72874902
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C18H22N4O3/c19-17(24)12-4-3-8-22(11-12)9-7-20-18(25)14-10-16(23)21-15-6-2-1-5-13(14)15/h1-2,5-6,10,12H,3-4,7-9,11H2,(H2,19,24)(H,20,25)(H,21,23)
InChIKeyMVYYLUHNKDWESM-UHFFFAOYSA-N
XLogP0.46
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
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
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
CID 74232796
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480900
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 77084193
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 72874902) is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is NC(=O)C1CCCN(CCNC(=O)c2cc(=O)[nH]c3ccccc23)C1.
What is the InChIKey of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is MVYYLUHNKDWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-17(24)12-4-3-8-22(11-12)9-7-20-18(25)14-10-16(23)21-15-6-2-1-5-13(14)15/h1-2,5-6,10,12H,3-4,7-9,11H2,(H2,19,24)(H,20,25)(H,21,23).
What are the key properties of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 72874902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).