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

C16H23FN2O — CID 63122933

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)C1(C)CCNCC1
InChIInChI=1S/C16H23FN2O/c1-12(11-13-3-5-14(17)6-4-13)19-15(20)16(2)7-9-18-10-8-16/h3-6,12,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyCNZQTIVAVUOMJP-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.26
Rot. Bonds4

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

N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide (PubChem CID 63122933) 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]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide
PubChem CID63122933
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)C1(C)CCNCC1
InChIInChI=1S/C16H23FN2O/c1-12(11-13-3-5-14(17)6-4-13)19-15(20)16(2)7-9-18-10-8-16/h3-6,12,18H,7-11H2,1-2H3,(H,19,20)
InChIKeyCNZQTIVAVUOMJP-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
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[1-(2,6-difluorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
CID 63122165
4-methyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide
CID 63122377
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 74240515
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2S)-1-(4-fluorophenyl)propan-2-yl]urea
CID 95768873
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
CID 95213981

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide (CID 63122933) is N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide is CC(Cc1ccc(F)cc1)NC(=O)C1(C)CCNCC1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide?
The InChIKey is CNZQTIVAVUOMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(11-13-3-5-14(17)6-4-13)19-15(20)16(2)7-9-18-10-8-16/h3-6,12,18H,7-11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide?
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-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]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63122933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).