N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide

C17H23ClN2O3 — CID 17257101

IUPACN-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide
SMILESCCC1CCCCN1C(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C17H23ClN2O3/c1-4-12-7-5-6-8-20(12)17(22)13-9-14(18)15(19-11(2)21)10-16(13)23-3/h9-10,12H,4-8H2,1-3H3,(H,19,21)
InChIKeySWKBJFCXPDXZES-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.71
Rot. Bonds4

About N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide

N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide (PubChem CID 17257101) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide
PubChem CID17257101
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide
SMILESCCC1CCCCN1C(=O)c1cc(Cl)c(NC(C)=O)cc1OC
InChIInChI=1S/C17H23ClN2O3/c1-4-12-7-5-6-8-20(12)17(22)13-9-14(18)15(19-11(2)21)10-16(13)23-3/h9-10,12H,4-8H2,1-3H3,(H,19,21)
InChIKeySWKBJFCXPDXZES-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 17312286
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006497
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
[2-(2-bromoethyl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 80666287
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethoxyphenyl]acetamide;hydrochloride
CID 119466542
4-acetamido-5-chloro-N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-methoxy-N-oxidobenzamide
CID 86736603
4-acetamido-5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl)-2-methoxybenzamide
CID 15095971

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide (CID 17257101) is N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide is CCC1CCCCN1C(=O)c1cc(Cl)c(NC(C)=O)cc1OC.
What is the InChIKey of N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide?
The InChIKey is SWKBJFCXPDXZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-4-12-7-5-6-8-20(12)17(22)13-9-14(18)15(19-11(2)21)10-16(13)23-3/h9-10,12H,4-8H2,1-3H3,(H,19,21).
What are the key properties of N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide?
N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide has a molecular weight of 338.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide is sourced from PubChem (CID 17257101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).