1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide

C17H25FN2O — CID 17152735

IUPAC1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O/c1-3-14(4-2)19-17(21)13-9-11-20(12-10-13)16-8-6-5-7-15(16)18/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyQWECRJDNSYIPSO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide

1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide (PubChem CID 17152735) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
PubChem CID17152735
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O/c1-3-14(4-2)19-17(21)13-9-11-20(12-10-13)16-8-6-5-7-15(16)18/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyQWECRJDNSYIPSO-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 17152731
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
1-[(2-fluorophenyl)methylsulfonyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53283463
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144516
1-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17152720
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide (CID 17152735) is 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide is CCC(CC)NC(=O)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide?
The InChIKey is QWECRJDNSYIPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-14(4-2)19-17(21)13-9-11-20(12-10-13)16-8-6-5-7-15(16)18/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide?
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 17152735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).