N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide

C15H20ClN3O2 — CID 114428317

IUPACN-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1
InChIInChI=1S/C15H20ClN3O2/c1-2-9-5-6-18-13(7-9)15(21)19-10-3-4-11(14(17)20)12(16)8-10/h3-4,8-9,13,18H,2,5-7H2,1H3,(H2,17,20)(H,19,21)
InChIKeyQXHCHWAXTJQFCQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.16
Rot. Bonds4

About N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide

N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide (PubChem CID 114428317) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
PubChem CID114428317
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1
InChIInChI=1S/C15H20ClN3O2/c1-2-9-5-6-18-13(7-9)15(21)19-10-3-4-11(14(17)20)12(16)8-10/h3-4,8-9,13,18H,2,5-7H2,1H3,(H2,17,20)(H,19,21)
InChIKeyQXHCHWAXTJQFCQ-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
CID 114428363
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
CID 114428009
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
CID 61030452
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427824
N-(2-chloro-6-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114429222
N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114428835
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114429344

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide (CID 114428317) is N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide?
The InChIKey is QXHCHWAXTJQFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-9-5-6-18-13(7-9)15(21)19-10-3-4-11(14(17)20)12(16)8-10/h3-4,8-9,13,18H,2,5-7H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).