N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide

C20H23ClN2O2S — CID 108554273

IUPACN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O2S/c21-16-6-3-15(4-7-16)5-8-20(25)23-11-9-17(10-12-23)22-19(24)14-18-2-1-13-26-18/h1-4,6-7,13,17H,5,8-12,14H2,(H,22,24)
InChIKeyIQUSFQWZUCRPCH-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.68
Rot. Bonds6

About N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide

N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 108554273) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
PubChem CID108554273
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN2O2S/c21-16-6-3-15(4-7-16)5-8-20(25)23-11-9-17(10-12-23)22-19(24)14-18-2-1-13-26-18/h1-4,6-7,13,17H,5,8-12,14H2,(H,22,24)
InChIKeyIQUSFQWZUCRPCH-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
2-(4-chlorophenoxy)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108554335
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide (CID 108554273) is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is IQUSFQWZUCRPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c21-16-6-3-15(4-7-16)5-8-20(25)23-11-9-17(10-12-23)22-19(24)14-18-2-1-13-26-18/h1-4,6-7,13,17H,5,8-12,14H2,(H,22,24).
What are the key properties of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 390.94 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 108554273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).