1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride

C28H40Cl2N4O — CID 11577221

IUPAC1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C28H38N4O.2ClH/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;;/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33);2*1H
InChIKeyNZZMVMMUNRNSMC-UHFFFAOYSA-N
MW519.56 g/mol
LogP4.96
Rot. Bonds6

About 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride

1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 11577221) has the molecular formula C28H40Cl2N4O and a molecular weight of 519.56 g/mol. Its IUPAC name is 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
PubChem CID11577221
Molecular FormulaC28H40Cl2N4O
Molecular Weight519.56 g/mol
Exact Mass518.26
IUPAC Name1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C28H38N4O.2ClH/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;;/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33);2*1H
InChIKeyNZZMVMMUNRNSMC-UHFFFAOYSA-N
XLogP4.96
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.56
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

Carpipramine
CID 2580
Clocapramine
CID 2793
Carpipramine dihydrochloride anhydrous
CID 23476
4-(Phenylamino)-1-(phenylmethyl)-4-piperidinecarboxamide
CID 70668
N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide
CID 126539557
1-Piperidineacetamide, N,N'-(methylenedi-4,1-phenylene)bis-
CID 173689
1-[2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 666300
1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 667729
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 738371
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-piperidin-1-ylethanone
CID 777341
1-{[N-(2-phenylphenyl)carbamoyl]methyl}-4-piperidylpiperidine-4-carboxamide
CID 1252576
N-Biphenyl-2-yl-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 6603387

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride (CID 11577221) is 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is NZZMVMMUNRNSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O.2ClH/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;;/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33);2*1H.
What are the key properties of 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride?
1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 519.56 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 11577221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).