N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide

C16H23FN2O — CID 63008649

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC(C)Cc2ccc(F)cc2)CN1
InChIInChI=1S/C16H23FN2O/c1-11-3-6-14(10-18-11)16(20)19-12(2)9-13-4-7-15(17)8-5-13/h4-5,7-8,11-12,14,18H,3,6,9-10H2,1-2H3,(H,19,20)
InChIKeyJVMLWDZCIWKYJU-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.26
Rot. Bonds4

About N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide

N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide (PubChem CID 63008649) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide
PubChem CID63008649
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC(C)Cc2ccc(F)cc2)CN1
InChIInChI=1S/C16H23FN2O/c1-11-3-6-14(10-18-11)16(20)19-12(2)9-13-4-7-15(17)8-5-13/h4-5,7-8,11-12,14,18H,3,6,9-10H2,1-2H3,(H,19,20)
InChIKeyJVMLWDZCIWKYJU-UHFFFAOYSA-N
XLogP2.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034
(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311981
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
4-[1-(4-propan-2-ylphenyl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120692306
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide
CID 63122933
N-[1-[4-[2-(4-propan-2-ylphenyl)ethynyl]phenyl]propan-2-yl]cyclopropanecarboxamide
CID 90429490
N-[1-(4-fluorophenyl)propan-2-yl]-2-piperidin-3-ylacetamide
CID 63010220
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide (CID 63008649) is N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(=O)NC(C)Cc2ccc(F)cc2)CN1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide?
The InChIKey is JVMLWDZCIWKYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11-3-6-14(10-18-11)16(20)19-12(2)9-13-4-7-15(17)8-5-13/h4-5,7-8,11-12,14,18H,3,6,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide?
N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63008649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).