2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide

C17H23Cl2N3O2 — CID 72846773

IUPAC2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
SMILESCC(=O)NCCC1CCCCN1C(=O)Nc1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-11-14(18)6-7-15(16(11)19)21-17(24)22-10-4-3-5-13(22)8-9-20-12(2)23/h6-7,13H,3-5,8-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMRPJNTALPMWKSA-UHFFFAOYSA-N
MW372.30 g/mol
LogP4.21
Rot. Bonds4

About 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide

2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide (PubChem CID 72846773) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
PubChem CID72846773
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
SMILESCC(=O)NCCC1CCCCN1C(=O)Nc1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C17H23Cl2N3O2/c1-11-14(18)6-7-15(16(11)19)21-17(24)22-10-4-3-5-13(22)8-9-20-12(2)23/h6-7,13H,3-5,8-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyMRPJNTALPMWKSA-UHFFFAOYSA-N
XLogP4.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72929137
(2S)-2-(2-acetamidoethyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 95728140
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 42191599
N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide
CID 97125151
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
N-(3,4-dichlorophenyl)-2-(2-oxopropyl)piperidine-1-carboxamide
CID 79537750
N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97206852
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide (CID 72846773) is 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide is CC(=O)NCCC1CCCCN1C(=O)Nc1ccc(Cl)c(C)c1Cl.
What is the InChIKey of 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is MRPJNTALPMWKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2/c1-11-14(18)6-7-15(16(11)19)21-17(24)22-10-4-3-5-13(22)8-9-20-12(2)23/h6-7,13H,3-5,8-10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide?
2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 372.30 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 72846773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).