1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide

C21H29FN2O3 — CID 72931756

IUPAC1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(CCC1(O)CCCC1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C21H29FN2O3/c1-23(13-12-21(27)10-4-5-11-21)20(26)17-8-9-19(25)24(15-17)14-16-6-2-3-7-18(16)22/h2-3,6-7,17,27H,4-5,8-15H2,1H3
InChIKeyOYCQDBCZVRJSNB-UHFFFAOYSA-N
MW376.47 g/mol
LogP2.72
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 72931756) has the molecular formula C21H29FN2O3 and a molecular weight of 376.47 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID72931756
Molecular FormulaC21H29FN2O3
Molecular Weight376.47 g/mol
Exact Mass376.22
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(CCC1(O)CCCC1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C21H29FN2O3/c1-23(13-12-21(27)10-4-5-11-21)20(26)17-8-9-19(25)24(15-17)14-16-6-2-3-7-18(16)22/h2-3,6-7,17,27H,4-5,8-15H2,1H3
InChIKeyOYCQDBCZVRJSNB-UHFFFAOYSA-N
XLogP2.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791484
1-cyclopentyl-N-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24817103
N-(3-cyclopentylpropyl)-1-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24817106
N-cyclohexyl-1-(3-fluorobenzyl)-6-keto-N-methyl-nipecotamide
CID 24817398
3-{[(2,2-Dimethylpropyl)amino]methyl}-1-(2-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45223099
N-(3-cyclopentylpropyl)-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24791437
Cambridge id 5261649
CID 2838113
1-Cyclopentyl-5-{[4-(3-fluorobenzyl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 24817422
1-(3-Fluorobenzyl)-5-{[4-(methoxymethyl)-1-piperidinyl]carbonyl}-2-piperidinone
CID 24817462

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 72931756) is 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is CN(CCC1(O)CCCC1)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is OYCQDBCZVRJSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3/c1-23(13-12-21(27)10-4-5-11-21)20(26)17-8-9-19(25)24(15-17)14-16-6-2-3-7-18(16)22/h2-3,6-7,17,27H,4-5,8-15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 376.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72931756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).