2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C21H25ClN2O — CID 10689652

IUPAC2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESO=C(CCl)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H25ClN2O/c22-17-21(25)24(19-9-5-2-6-10-19)20-12-15-23(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyOMKKISJQVKWVMK-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.97
Rot. Bonds6

About 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 10689652) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID10689652
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESO=C(CCl)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H25ClN2O/c22-17-21(25)24(19-9-5-2-6-10-19)20-12-15-23(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyOMKKISJQVKWVMK-UHFFFAOYSA-N
XLogP3.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
2,2,2-trifluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 155907714
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
but-2-enedioic acid;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 68613507
N-[3-oxo-3-(N-[1-(2-phenylethyl)piperidin-4-yl]anilino)propyl]benzamide
CID 73345882
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 139032969
but-2-enedioic acid;2-methylsulfanyl-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 3076327
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697
2-fluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 11631733

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 10689652) is 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is O=C(CCl)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is OMKKISJQVKWVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c22-17-21(25)24(19-9-5-2-6-10-19)20-12-15-23(16-13-20)14-11-18-7-3-1-4-8-18/h1-10,20H,11-17H2.
What are the key properties of 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 356.90 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 10689652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).