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

C23H30N2O — CID 527013

IUPACN-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(C)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-3-23(26)25(21-11-9-19(2)10-12-21)22-14-17-24(18-15-22)16-13-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3
InChIKeyXHWYYMNEJCMADF-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.45
Rot. Bonds6

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

N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 527013) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID527013
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(C)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-3-23(26)25(21-11-9-19(2)10-12-21)22-14-17-24(18-15-22)16-13-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3
InChIKeyXHWYYMNEJCMADF-UHFFFAOYSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 527013) is N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(c1ccc(C)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is XHWYYMNEJCMADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-23(26)25(21-11-9-19(2)10-12-21)22-14-17-24(18-15-22)16-13-20-7-5-4-6-8-20/h4-12,22H,3,13-18H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 350.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 527013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).