N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide

C24H32N2O — CID 156782580

IUPACN-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide
SMILESCCC(=O)N(C[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O/c1-3-24(27)26(23-12-8-5-9-13-23)19-20(2)25-16-14-22(15-17-25)18-21-10-6-4-7-11-21/h4-13,20,22H,3,14-19H2,1-2H3/t20-/m0/s1
InChIKeyPABZPWFOALFERZ-FQEVSTJZSA-N
MW364.53 g/mol
LogP4.77
Rot. Bonds7

About N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide

N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide (PubChem CID 156782580) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide
PubChem CID156782580
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide
SMILESCCC(=O)N(C[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H32N2O/c1-3-24(27)26(23-12-8-5-9-13-23)19-20(2)25-16-14-22(15-17-25)18-21-10-6-4-7-11-21/h4-13,20,22H,3,14-19H2,1-2H3/t20-/m0/s1
InChIKeyPABZPWFOALFERZ-FQEVSTJZSA-N
XLogP4.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide?
The IUPAC name of N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide (CID 156782580) is N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide.
What is the SMILES notation for N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide?
The canonical SMILES for N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide is CCC(=O)N(C[C@H](C)N1CCC(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide?
The InChIKey is PABZPWFOALFERZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-24(27)26(23-12-8-5-9-13-23)19-20(2)25-16-14-22(15-17-25)18-21-10-6-4-7-11-21/h4-13,20,22H,3,14-19H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide?
N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide has a molecular weight of 364.53 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-benzylpiperidin-1-yl)propyl]-N-phenylpropanamide is sourced from PubChem (CID 156782580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).