N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide

C14H16Cl2N2O2 — CID 114508481

IUPACN-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2cc(Cl)ccc2Cl)CCC1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-2-9-8-18(6-5-13(9)19)14(20)17-12-7-10(15)3-4-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyVFFBOIKERZASRL-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.83
Rot. Bonds2

About N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide

N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide (PubChem CID 114508481) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
PubChem CID114508481
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2cc(Cl)ccc2Cl)CCC1=O
InChIInChI=1S/C14H16Cl2N2O2/c1-2-9-8-18(6-5-13(9)19)14(20)17-12-7-10(15)3-4-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyVFFBOIKERZASRL-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508450
1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one
CID 107987877
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412
1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one
CID 114508192
N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115667783
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
CID 47090156
N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519706
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 81452927
(4aR,8aS)-N-(2,5-dichlorophenyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 97061970
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide (CID 114508481) is N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide is CCC1CN(C(=O)Nc2cc(Cl)ccc2Cl)CCC1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide?
The InChIKey is VFFBOIKERZASRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-2-9-8-18(6-5-13(9)19)14(20)17-12-7-10(15)3-4-11(12)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,17,20).
What are the key properties of N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide?
N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 114508481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).