2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide

C21H25ClN2O — CID 16890076

IUPAC2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c22-19-8-4-18(5-9-19)16-21(25)23-13-12-17-6-10-20(11-7-17)24-14-2-1-3-15-24/h4-11H,1-3,12-16H2,(H,23,25)
InChIKeyQEESECMJNYHGAR-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.23
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide (PubChem CID 16890076) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
PubChem CID16890076
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O/c22-19-8-4-18(5-9-19)16-21(25)23-13-12-17-6-10-20(11-7-17)24-14-2-1-3-15-24/h4-11H,1-3,12-16H2,(H,23,25)
InChIKeyQEESECMJNYHGAR-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110412816
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
CID 110404917
5-chloro-2-methoxy-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 16890087
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide (CID 16890076) is 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide?
The InChIKey is QEESECMJNYHGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c22-19-8-4-18(5-9-19)16-21(25)23-13-12-17-6-10-20(11-7-17)24-14-2-1-3-15-24/h4-11H,1-3,12-16H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide has a molecular weight of 356.90 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 16890076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).