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

C29H39N3O2 — CID 3013679

IUPAC1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)C1
InChIInChI=1S/C29H39N3O2/c1-24(33)31-18-8-12-27(23-31)29(34)32(28-13-6-3-7-14-28)19-9-17-30-20-15-26(16-21-30)22-25-10-4-2-5-11-25/h2-7,10-11,13-14,26-27H,8-9,12,15-23H2,1H3
InChIKeyKFGBXLLLMOKTTM-UHFFFAOYSA-N
MW461.65 g/mol
LogP4.62
Rot. Bonds8

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

1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 3013679) 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-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide
PubChem CID3013679
Molecular FormulaC29H39N3O2
Molecular Weight461.65 g/mol
Exact Mass461.30
IUPAC Name1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)C1
InChIInChI=1S/C29H39N3O2/c1-24(33)31-18-8-12-27(23-31)29(34)32(28-13-6-3-7-14-28)19-9-17-30-20-15-26(16-21-30)22-25-10-4-2-5-11-25/h2-7,10-11,13-14,26-27H,8-9,12,15-23H2,1H3
InChIKeyKFGBXLLLMOKTTM-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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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methylsulfonyl-N-phenylpiperidine-3-carboxamide
CID 3013680
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(4-tert-butylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 514982
N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 515010
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 70100316
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
1-acetyl-N-(3-chloropropyl)-N-phenylpiperidine-4-carboxamide
CID 141232304
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzylpiperidine-4-carboxamide
CID 57331274
1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-N-(3-chlorophenyl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 18539187
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 514971
1-acetyl-N-(3-chlorophenyl)-N-[3-[4-[[4-(tetrazol-1-yl)phenyl]methyl]piperidin-1-yl]propyl]piperidine-4-carboxamide
CID 69313655
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(3-chlorophenyl)-1-phenylurea;hydrochloride
CID 22676695
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide (CID 3013679) is 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)N(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)C1.
What is the InChIKey of 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is KFGBXLLLMOKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O2/c1-24(33)31-18-8-12-27(23-31)29(34)32(28-13-6-3-7-14-28)19-9-17-30-20-15-26(16-21-30)22-25-10-4-2-5-11-25/h2-7,10-11,13-14,26-27H,8-9,12,15-23H2,1H3.
What are the key properties of 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-carboxamide?
1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-phenylpiperidine-3-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-3-carboxamide is sourced from PubChem (CID 3013679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).