N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide

C27H30N2O — CID 2396803

IUPACN-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide
SMILESO=C(CCc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H30N2O/c30-27(17-16-23-10-4-1-5-11-23)29(25-14-8-3-9-15-25)26-18-20-28(21-19-26)22-24-12-6-2-7-13-24/h1-15,26H,16-22H2
InChIKeyLHSWHRHCIOMFRZ-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.32
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide

N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide (PubChem CID 2396803) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide
PubChem CID2396803
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide
SMILESO=C(CCc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H30N2O/c30-27(17-16-23-10-4-1-5-11-23)29(25-14-8-3-9-15-25)26-18-20-28(21-19-26)22-24-12-6-2-7-13-24/h1-15,26H,16-22H2
InChIKeyLHSWHRHCIOMFRZ-UHFFFAOYSA-N
XLogP5.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide (CID 2396803) is N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide is O=C(CCc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide?
The InChIKey is LHSWHRHCIOMFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c30-27(17-16-23-10-4-1-5-11-23)29(25-14-8-3-9-15-25)26-18-20-28(21-19-26)22-24-12-6-2-7-13-24/h1-15,26H,16-22H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide?
N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide has a molecular weight of 398.55 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N,3-diphenylpropanamide is sourced from PubChem (CID 2396803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).