N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide

C14H16F2N2O2 — CID 114508450

IUPACN-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2ccc(F)cc2F)CCC1=O
InChIInChI=1S/C14H16F2N2O2/c1-2-9-8-18(6-5-13(9)19)14(20)17-12-4-3-10(15)7-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyIECHNVWEKYPTLQ-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.80
Rot. Bonds2

About N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide

N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide (PubChem CID 114508450) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
PubChem CID114508450
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC NameN-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2ccc(F)cc2F)CCC1=O
InChIInChI=1S/C14H16F2N2O2/c1-2-9-8-18(6-5-13(9)19)14(20)17-12-4-3-10(15)7-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyIECHNVWEKYPTLQ-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508481
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
methyl 1-[(2,4-difluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78915679
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
N-(2,4-difluorophenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304661
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide (CID 114508450) is N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide is CCC1CN(C(=O)Nc2ccc(F)cc2F)CCC1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide?
The InChIKey is IECHNVWEKYPTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-2-9-8-18(6-5-13(9)19)14(20)17-12-4-3-10(15)7-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20).
What are the key properties of N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide?
N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide has a molecular weight of 282.29 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 114508450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).