N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide

C15H20ClN3O2 — CID 63130126

IUPACN-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(C(N)=O)ccc2Cl)CCCNC1
InChIInChI=1S/C15H20ClN3O2/c1-2-15(6-3-7-18-9-15)14(21)19-12-8-10(13(17)20)4-5-11(12)16/h4-5,8,18H,2-3,6-7,9H2,1H3,(H2,17,20)(H,19,21)
InChIKeyYKJGPVHRSDPXFQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.16
Rot. Bonds4

About N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide

N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide (PubChem CID 63130126) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide
PubChem CID63130126
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cc(C(N)=O)ccc2Cl)CCCNC1
InChIInChI=1S/C15H20ClN3O2/c1-2-15(6-3-7-18-9-15)14(21)19-12-8-10(13(17)20)4-5-11(12)16/h4-5,8,18H,2-3,6-7,9H2,1H3,(H2,17,20)(H,19,21)
InChIKeyYKJGPVHRSDPXFQ-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-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
N-(2,4-difluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132090
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
CID 65464421
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
3-ethyl-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 63130701
3-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-3-carboxamide
CID 63130989

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide (CID 63130126) is N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)Nc2cc(C(N)=O)ccc2Cl)CCCNC1.
What is the InChIKey of N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is YKJGPVHRSDPXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-15(6-3-7-18-9-15)14(21)19-12-8-10(13(17)20)4-5-11(12)16/h4-5,8,18H,2-3,6-7,9H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide?
N-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-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-(5-carbamoyl-2-chlorophenyl)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 63130126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).