N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide

C14H19FN2O — CID 70985646

IUPACN-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O/c1-17-8-6-12(7-9-17)14(18)16-10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeySGZVZXBJGQCOHK-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.78
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide (PubChem CID 70985646) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
PubChem CID70985646
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O/c1-17-8-6-12(7-9-17)14(18)16-10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeySGZVZXBJGQCOHK-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
1-[(4-fluorophenyl)methylsulfonyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 70702727
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
1-(1,3-dimethylpyrrole-2-carbonyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 136534473
1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 142021620
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide (CID 70985646) is N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is SGZVZXBJGQCOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17-8-6-12(7-9-17)14(18)16-10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 70985646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).