2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide

C16H23ClN2O2 — CID 86990582

IUPAC2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c1-21-15-6-5-14(17)11-13(15)12-16(20)18-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10,12H2,1H3,(H,18,20)
InChIKeyQQNDSLOARTWNTJ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.49
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide

2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 86990582) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID86990582
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C16H23ClN2O2/c1-21-15-6-5-14(17)11-13(15)12-16(20)18-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10,12H2,1H3,(H,18,20)
InChIKeyQQNDSLOARTWNTJ-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide
CID 52910536
2-(5-chloro-2-methoxyphenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 87008728
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 31001529
2-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51926822
2-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 78869416

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide (CID 86990582) is 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide is COc1ccc(Cl)cc1CC(=O)NCCN1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is QQNDSLOARTWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-21-15-6-5-14(17)11-13(15)12-16(20)18-7-10-19-8-3-2-4-9-19/h5-6,11H,2-4,7-10,12H2,1H3,(H,18,20).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide?
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 310.82 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 86990582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).