1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide

C29H39N3O2 — CID 3013673

IUPAC1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1
InChIInChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3
InChIKeyVVYJFMMANNCAHB-UHFFFAOYSA-N
MW461.65 g/mol
LogP4.62
Rot. Bonds8

About 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide

1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 3013673) has the molecular formula C29H39N3O2 and a molecular weight of 461.65 g/mol. Its IUPAC name is 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide
PubChem CID3013673
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1
InChIInChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3
InChIKeyVVYJFMMANNCAHB-UHFFFAOYSA-N
XLogP4.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.65
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide (CID 3013673) is 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is VVYJFMMANNCAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-24(33)31-21-15-27(16-22-31)29(34)32(28-11-6-3-7-12-28)18-8-17-30-19-13-26(14-20-30)23-25-9-4-2-5-10-25/h2-7,9-12,26-27H,8,13-23H2,1H3.
What are the key properties of 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide?
1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 461.65 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 3013673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).