1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

C29H37Cl2N3O2 — CID 3013683

IUPAC1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl
InChIInChI=1S/C29H37Cl2N3O2/c1-22(35)33-18-12-25(13-19-33)29(36)34(26-8-9-27(30)28(31)21-26)15-5-14-32-16-10-24(11-17-32)20-23-6-3-2-4-7-23/h2-4,6-9,21,24-25H,5,10-20H2,1H3
InChIKeyCXTDDKSECFLFSJ-UHFFFAOYSA-N
MW530.50 g/mol
LogP5.60
Rot. Bonds8

About 1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (PubChem CID 3013683) has the molecular formula C29H37Cl2N3O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
PubChem CID3013683
Molecular FormulaC29H37Cl2N3O2
Molecular Weight530.50 g/mol
Exact Mass529.23
IUPAC Name1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl
InChIInChI=1S/C29H37Cl2N3O2/c1-22(35)33-18-12-25(13-19-33)29(36)34(26-8-9-27(30)28(31)21-26)15-5-14-32-16-10-24(11-17-32)20-23-6-3-2-4-7-23/h2-4,6-9,21,24-25H,5,10-20H2,1H3
InChIKeyCXTDDKSECFLFSJ-UHFFFAOYSA-N
XLogP5.60
TPSA43.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity701

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Lorcainide
CID 42884
N-(3,4-dichlorophenyl)-1-methylsulfonyl-N-[3-[4-[(4-methylsulfonylphenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013701
Lorcainide Hydrochloride
CID 6917855
Para-chloroisobutyryl fentanyl
CID 100974915
1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-phenylpiperidine-4-carboxamide
CID 3013673
1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013684
N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl]-1-methylsulfonyl-piperidine-4-carboxamide
CID 3013689
N-[3-[4-[(4-cyanophenyl)methyl]-1-piperidyl]propyl]-N-(3,4-dichlorophenyl)-1-methylsulfonyl-piperidine-4-carboxamide
CID 5275759
N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5275762
4-Piperidinecarboxamide, N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(dimethylamino)carbonyl]phenyl]methyl]-1-piperidinyl]propyl]-1-(methylsulfonyl)-
CID 5275764
1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 5275765
1-acetyl-N-(3,4-dichlorophenyl)-N-(3-{4-[(4-fluorophenyl)sulfanyl]piperidin-1-yl}propyl)piperidine-4-carboxamide
CID 11505350

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (CID 3013683) is 1-acetyl-N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC2)CC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl.
What is the InChIKey of 1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The InChIKey is CXTDDKSECFLFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37Cl2N3O2/c1-22(35)33-18-12-25(13-19-33)29(36)34(26-8-9-27(30)28(31)21-26)15-5-14-32-16-10-24(11-17-32)20-23-6-3-2-4-7-23/h2-4,6-9,21,24-25H,5,10-20H2,1H3.
What are the key properties of 1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
1-acetyl-N-[3-(4-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide has a molecular weight of 530.50 g/mol, XLogP of 5.60, 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-benzyl-1-piperidyl)propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 3013683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).