N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide

C15H21ClN2O2 — CID 114428835

IUPACN-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2cc(OC)ccc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-3-10-6-7-17-14(8-10)15(19)18-13-9-11(20-2)4-5-12(13)16/h4-5,9-10,14,17H,3,6-8H2,1-2H3,(H,18,19)
InChIKeyKMUNTIICQLIDLG-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.07
Rot. Bonds4

About N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide

N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide (PubChem CID 114428835) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide
PubChem CID114428835
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)Nc2cc(OC)ccc2Cl)C1
InChIInChI=1S/C15H21ClN2O2/c1-3-10-6-7-17-14(8-10)15(19)18-13-9-11(20-2)4-5-12(13)16/h4-5,9-10,14,17H,3,6-8H2,1-2H3,(H,18,19)
InChIKeyKMUNTIICQLIDLG-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427861
4-ethyl-N-(2-methoxyphenyl)piperidine-2-carboxamide
CID 114427816
4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
CID 114428009
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114429344
N-(2,6-dichloro-3-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427824
N-[3-chloro-4-(dimethylamino)phenyl]-4-ethylpiperidine-2-carboxamide
CID 114428363
N-(2-chloro-6-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114429222
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
N-(2,3-dimethylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114427932
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114424357
N-(2-ethoxy-4-fluorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428305

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide (CID 114428835) is N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)Nc2cc(OC)ccc2Cl)C1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide?
The InChIKey is KMUNTIICQLIDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-10-6-7-17-14(8-10)15(19)18-13-9-11(20-2)4-5-12(13)16/h4-5,9-10,14,17H,3,6-8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide?
N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).