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

C23H30N2O — CID 14129724

IUPACN-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-23(26)25(19-21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3
InChIKeyQOHQCOIBQCEEGL-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.13
Rot. Bonds7

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

N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 14129724) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID14129724
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-23(26)25(19-21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3
InChIKeyQOHQCOIBQCEEGL-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 14129724) is N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is QOHQCOIBQCEEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-23(26)25(19-21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3.
What are the key properties of N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 350.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 14129724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).