N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide

C18H21FN4O3 — CID 74232796

IUPACN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)C1
InChIInChI=1S/C18H21FN4O3/c19-13-5-1-4-12-15(24)9-14(22-16(12)13)18(26)21-6-8-23-7-2-3-11(10-23)17(20)25/h1,4-5,9,11H,2-3,6-8,10H2,(H2,20,25)(H,21,26)(H,22,24)
InChIKeyOCURSMMZTHYQHM-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.59
Rot. Bonds5

About N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 74232796) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
PubChem CID74232796
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)C1
InChIInChI=1S/C18H21FN4O3/c19-13-5-1-4-12-15(24)9-14(22-16(12)13)18(26)21-6-8-23-7-2-3-11(10-23)17(20)25/h1,4-5,9,11H,2-3,6-8,10H2,(H2,20,25)(H,21,26)(H,22,24)
InChIKeyOCURSMMZTHYQHM-UHFFFAOYSA-N
XLogP0.59
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
1-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxamide
CID 135090544
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide
CID 124906961
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
(3R)-1-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]piperidine-3-carboxamide
CID 125173766
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide (CID 74232796) is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide is NC(=O)C1CCCN(CCNC(=O)c2cc(=O)c3cccc(F)c3[nH]2)C1.
What is the InChIKey of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is OCURSMMZTHYQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c19-13-5-1-4-12-15(24)9-14(22-16(12)13)18(26)21-6-8-23-7-2-3-11(10-23)17(20)25/h1,4-5,9,11H,2-3,6-8,10H2,(H2,20,25)(H,21,26)(H,22,24).
What are the key properties of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide?
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 0.59, 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]-8-fluoro-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 74232796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).