1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide

C16H21FN2O — CID 69175848

IUPAC1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
SMILESCc1cc(F)ccc1C1CN(C2CC2)CCC1C(N)=O
InChIInChI=1S/C16H21FN2O/c1-10-8-11(17)2-5-13(10)15-9-19(12-3-4-12)7-6-14(15)16(18)20/h2,5,8,12,14-15H,3-4,6-7,9H2,1H3,(H2,18,20)
InChIKeyAUIJRBUSBNLVDF-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.19
Rot. Bonds3

About 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide

1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide (PubChem CID 69175848) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
PubChem CID69175848
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
SMILESCc1cc(F)ccc1C1CN(C2CC2)CCC1C(N)=O
InChIInChI=1S/C16H21FN2O/c1-10-8-11(17)2-5-13(10)15-9-19(12-3-4-12)7-6-14(15)16(18)20/h2,5,8,12,14-15H,3-4,6-7,9H2,1H3,(H2,18,20)
InChIKeyAUIJRBUSBNLVDF-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203033
(4R,5R)-5-amino-1-(3-phenylpropyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204464
(4R,5R)-5-amino-1-[(2S)-2-phenylpropyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204465
4-Phenyl-1-[4-(propan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 24776413
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6464276
2-(2-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 6466086
cis-(1S,2R)-2-[(1S)-1-aminopropyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 9925538
(3S,6S)-3-isobutyl-4-((1R,2R)-2-phenylcyclopropanecarbonyl)-6-propylpiperazin-2-one
CID 68158563
(R)-3-Amino-4-(2-fluoro-phenyl)-1-((R)-2-isopropyl-piperazin-1-yl)-butan-1-one
CID 9836210
(1S,2R)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecarboxylic acid diethylamide
CID 10061175
(1S,2R)-2-(1-Amino-propyl)-1-phenyl-cyclopropanecarboxylic acid diethylamide
CID 10061924

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide (CID 69175848) is 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide is Cc1cc(F)ccc1C1CN(C2CC2)CCC1C(N)=O.
What is the InChIKey of 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is AUIJRBUSBNLVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-10-8-11(17)2-5-13(10)15-9-19(12-3-4-12)7-6-14(15)16(18)20/h2,5,8,12,14-15H,3-4,6-7,9H2,1H3,(H2,18,20).
What are the key properties of 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide?
1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 69175848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).