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

C16H23FN2O — CID 110490573

IUPACN-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NC(C)(C)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-12-7-4-5-10-19(12)15(20)18-16(2,3)13-8-6-9-14(17)11-13/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,18,20)
InChIKeyOCLOONJZCNROTM-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.64
Rot. Bonds2

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

N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide (PubChem CID 110490573) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
PubChem CID110490573
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NC(C)(C)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-12-7-4-5-10-19(12)15(20)18-16(2,3)13-8-6-9-14(17)11-13/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,18,20)
InChIKeyOCLOONJZCNROTM-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490552
2-[2-(3-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976301
N-[2-(3-fluorophenyl)propan-2-yl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
CID 84592814
5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 61186602
N-[2-(3-fluorophenyl)propan-2-yl]cyclopentanamine
CID 115901868
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120607945
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 86908473
2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 65266023
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide (CID 110490573) is N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NC(C)(C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide?
The InChIKey is OCLOONJZCNROTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-7-4-5-10-19(12)15(20)18-16(2,3)13-8-6-9-14(17)11-13/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide?
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 110490573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).