N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide

C15H21FN2O — CID 108902116

IUPACN-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O/c1-12-3-2-10-18(11-12)15(19)17-9-8-13-4-6-14(16)7-5-13/h4-7,12H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyOQSUHTWWXFMCMC-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.81
Rot. Bonds3

About N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide

N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide (PubChem CID 108902116) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
PubChem CID108902116
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O/c1-12-3-2-10-18(11-12)15(19)17-9-8-13-4-6-14(16)7-5-13/h4-7,12H,2-3,8-11H2,1H3,(H,17,19)
InChIKeyOQSUHTWWXFMCMC-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109055423
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523035
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053
3-(4-fluorophenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 86263909
2-(4-fluorophenyl)-N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]acetamide
CID 111145258
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109236512
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
2-[1-[2-(4-fluorophenyl)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617413
(3R)-N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35296389

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide (CID 108902116) is N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCCc2ccc(F)cc2)C1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is OQSUHTWWXFMCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-12-3-2-10-18(11-12)15(19)17-9-8-13-4-6-14(16)7-5-13/h4-7,12H,2-3,8-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108902116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).