1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide

C18H27FN2O — CID 43924676

IUPAC1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H27FN2O/c1-3-7-14(2)20-18(22)16-9-6-11-21(13-16)12-15-8-4-5-10-17(15)19/h4-5,8,10,14,16H,3,6-7,9,11-13H2,1-2H3,(H,20,22)
InChIKeyKETQCPZDBVNEGA-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.34
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 43924676) has the molecular formula C18H27FN2O and a molecular weight of 306.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID43924676
Molecular FormulaC18H27FN2O
Molecular Weight306.42 g/mol
Exact Mass306.21
IUPAC Name1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H27FN2O/c1-3-7-14(2)20-18(22)16-9-6-11-21(13-16)12-15-8-4-5-10-17(15)19/h4-5,8,10,14,16H,3,6-7,9,11-13H2,1-2H3,(H,20,22)
InChIKeyKETQCPZDBVNEGA-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289
N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923972
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
(3R)-N-[(2S)-1-[(2,5-dimethylphenyl)methylamino]-1-oxobutan-2-yl]-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 166429239
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 43924676) is 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is KETQCPZDBVNEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-3-7-14(2)20-18(22)16-9-6-11-21(13-16)12-15-8-4-5-10-17(15)19/h4-5,8,10,14,16H,3,6-7,9,11-13H2,1-2H3,(H,20,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 306.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 43924676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).