1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one

C23H31FN2O2 — CID 45195395

IUPAC1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H31FN2O2/c24-20-8-5-17(6-9-20)15-18-11-13-25(14-12-18)23(28)19-7-10-22(27)26(16-19)21-3-1-2-4-21/h5-6,8-9,18-19,21H,1-4,7,10-16H2
InChIKeyYBXKXQPZQCUIRI-UHFFFAOYSA-N
MW386.51 g/mol
LogP3.79
Rot. Bonds4

About 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one

1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one (PubChem CID 45195395) has the molecular formula C23H31FN2O2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
PubChem CID45195395
Molecular FormulaC23H31FN2O2
Molecular Weight386.51 g/mol
Exact Mass386.24
IUPAC Name1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H31FN2O2/c24-20-8-5-17(6-9-20)15-18-11-13-25(14-12-18)23(28)19-7-10-22(27)26(16-19)21-3-1-2-4-21/h5-6,8-9,18-19,21H,1-4,7,10-16H2
InChIKeyYBXKXQPZQCUIRI-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(4-benzylpiperidine-1-carbonyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 42592436
(5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
CID 97156162
[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 163334101
(5R)-1-cyclopentyl-5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]piperidin-2-one
CID 29152851
(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
CID 126451283
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
CID 167457452
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 155939923
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 45213447
(1R,6S)-3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133129902

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one (CID 45195395) is 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one is O=C(C1CCC(=O)N(C2CCCC2)C1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is YBXKXQPZQCUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2/c24-20-8-5-17(6-9-20)15-18-11-13-25(14-12-18)23(28)19-7-10-22(27)26(16-19)21-3-1-2-4-21/h5-6,8-9,18-19,21H,1-4,7,10-16H2.
What are the key properties of 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one?
1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 386.51 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 45195395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).