1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide

C28H37ClN4O — CID 2793

💊View drug profile → clocapramine
IUPAC1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1
InChIInChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
InChIKeyQAZKXHSIKKNOHH-UHFFFAOYSA-N
MW481.08 g/mol
LogP4.77
Rot. Bonds6

About 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 2793) has the molecular formula C28H37ClN4O and a molecular weight of 481.08 g/mol. Its IUPAC name is 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID2793
Molecular FormulaC28H37ClN4O
Molecular Weight481.08 g/mol
Exact Mass480.27
IUPAC Name1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1
InChIInChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
InChIKeyQAZKXHSIKKNOHH-UHFFFAOYSA-N
XLogP4.77
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.08
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

Carpipramine
CID 2580
Mosapramine
CID 4257
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 9843031
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-ethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 9930722
1-[3-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 11577221
Carpipramine dihydrochloride anhydrous
CID 23476
2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]-N-(4-piperidin-1-ylmethyl-phenyl)-acetamide
CID 9549593
3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
CID 44307546
2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-(2,2,4-trimethyl-3,4-dihydro-2H-quinolin-1-yl)-ethanone
CID 44335987
3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-(4-{2-[1-(4-methyl-piperazin-1-yl)-ethyl]-phenyl}-piperazin-1-yl)-2-oxo-ethyl]-propionamide
CID 44396120
3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[1-(2-piperidin-1-yl-ethylamino)-ethyl]-phenyl}-piperazin-1-yl)-ethyl]-propionamide
CID 44396141
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloro-anilino)propyl]-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 76310164

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 2793) is 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is QAZKXHSIKKNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34).
What are the key properties of 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 481.08 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 2793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).