N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C22H27ClN2O — CID 12741858

IUPACN-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1Cl)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27ClN2O/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKeyJPKVUHSMCMLOPC-UHFFFAOYSA-N
MW370.92 g/mol
LogP4.79
Rot. Bonds6

About N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 12741858) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID12741858
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC NameN-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1Cl)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H27ClN2O/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKeyJPKVUHSMCMLOPC-UHFFFAOYSA-N
XLogP4.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 12741858) is N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1Cl)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is JPKVUHSMCMLOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3.
What are the key properties of N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 370.92 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 12741858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).