N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide

C14H18F2N2O — CID 115160034

IUPACN-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C14H18F2N2O/c15-12-2-1-10(9-13(12)16)3-8-18-14(19)11-4-6-17-7-5-11/h1-2,9,11,17H,3-8H2,(H,18,19)
InChIKeyFQQHZGQJLLIMCA-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide

N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 115160034) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID115160034
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C14H18F2N2O/c15-12-2-1-10(9-13(12)16)3-8-18-14(19)11-4-6-17-7-5-11/h1-2,9,11,17H,3-8H2,(H,18,19)
InChIKeyFQQHZGQJLLIMCA-UHFFFAOYSA-N
XLogP1.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
CID 82135396
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
CID 61161224
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclobutanecarboxamide
CID 110790515
methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
CID 119277519
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide (CID 115160034) is N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide is O=C(NCCc1ccc(F)c(F)c1)C1CCNCC1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is FQQHZGQJLLIMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-12-2-1-10(9-13(12)16)3-8-18-14(19)11-4-6-17-7-5-11/h1-2,9,11,17H,3-8H2,(H,18,19).
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide?
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 115160034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).