N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide

C13H17FN2O — CID 108897499

IUPACN-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCCCC1
InChIInChI=1S/C13H17FN2O/c14-12-7-3-2-6-11(12)10-15-13(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H,15,17)
InChIKeyWHURCOULJJVZAY-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.52
Rot. Bonds2

About N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide

N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 108897499) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID108897499
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCCCC1
InChIInChI=1S/C13H17FN2O/c14-12-7-3-2-6-11(12)10-15-13(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H,15,17)
InChIKeyWHURCOULJJVZAY-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517300
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
N-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
3-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-oxopropanamide
CID 108962428
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62689801
(3R,4R)-N-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 72895815
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[(2-fluorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 27535125
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-1-carboxamide
CID 79155872
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide (CID 108897499) is N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide is O=C(NCc1ccccc1F)N1CCCCC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is WHURCOULJJVZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-7-3-2-6-11(12)10-15-13(17)16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H,15,17).
What are the key properties of N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide?
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 108897499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).