N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide

C22H26FN3O3 — CID 131941647

IUPACN-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1)C1CCCC1
InChIInChI=1S/C22H26FN3O3/c23-16-5-6-17-18(12-20(27)25-19(17)11-16)22(29)26-9-7-14(8-10-26)13-24-21(28)15-3-1-2-4-15/h5-6,11-12,14-15H,1-4,7-10,13H2,(H,24,28)(H,25,27)
InChIKeyFGPQUKMCJGNOSR-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.83
Rot. Bonds4

About N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide

N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 131941647) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
PubChem CID131941647
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1)C1CCCC1
InChIInChI=1S/C22H26FN3O3/c23-16-5-6-17-18(12-20(27)25-19(17)11-16)22(29)26-9-7-14(8-10-26)13-24-21(28)15-3-1-2-4-15/h5-6,11-12,14-15H,1-4,7-10,13H2,(H,24,28)(H,25,27)
InChIKeyFGPQUKMCJGNOSR-UHFFFAOYSA-N
XLogP2.83
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide with MolForge

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Related Compounds

4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 95716840
4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 119415623
3-amino-N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578766
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154868364
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-7-fluoro-1H-quinolin-2-one
CID 119435559
7-fluoro-N-(oxan-2-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 121495129
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
7-fluoro-4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-1H-quinolin-2-one
CID 126453720
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480900

Frequently Asked Questions

What is the IUPAC name of N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide (CID 131941647) is N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide is O=C(NCC1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CC1)C1CCCC1.
What is the InChIKey of N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is FGPQUKMCJGNOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-16-5-6-17-18(12-20(27)25-19(17)11-16)22(29)26-9-7-14(8-10-26)13-24-21(28)15-3-1-2-4-15/h5-6,11-12,14-15H,1-4,7-10,13H2,(H,24,28)(H,25,27).
What are the key properties of N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 131941647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).