N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide

C18H27ClN2O2 — CID 109032802

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1CCC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C18H27ClN2O2/c1-4-14-7-5-6-9-21(14)10-8-18(22)20-16-11-13(2)15(19)12-17(16)23-3/h11-12,14H,4-10H2,1-3H3,(H,20,22)
InChIKeyZAXZPECRDFHGNC-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.25
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide (PubChem CID 109032802) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide
PubChem CID109032802
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1CCC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C18H27ClN2O2/c1-4-14-7-5-6-9-21(14)10-8-18(22)20-16-11-13(2)15(19)12-17(16)23-3/h11-12,14H,4-10H2,1-3H3,(H,20,22)
InChIKeyZAXZPECRDFHGNC-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006497
(2S)-1-[3-(4-chloro-2,5-dimethoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910796
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(3R)-1-methyl-2-oxoazepan-3-yl]acetamide
CID 164642595
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899
3-(2-ethylpiperidin-1-yl)-N-(2-phenoxyphenyl)propanamide
CID 109032793
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
CID 109028142
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 46609342
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944484
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide (CID 109032802) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide is CCC1CCCCN1CCC(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide?
The InChIKey is ZAXZPECRDFHGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-4-14-7-5-6-9-21(14)10-8-18(22)20-16-11-13(2)15(19)12-17(16)23-3/h11-12,14H,4-10H2,1-3H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide has a molecular weight of 338.88 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109032802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).