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Carpipramine

C28H38N4O — CID 2580

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C28H38N4O/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)
InChIKeyNWPJLRSCSQHPJV-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.12
Rot. Bonds6

About Carpipramine

Carpipramine (PubChem CID 2580) has the molecular formula C28H38N4O and a molecular weight of 446.64 g/mol. Its IUPAC name is 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameCarpipramine
PubChem CID2580
Molecular FormulaC28H38N4O
Molecular Weight446.64 g/mol
Exact Mass446.30
IUPAC Name1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C28H38N4O/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)
InChIKeyNWPJLRSCSQHPJV-UHFFFAOYSA-N
XLogP4.12
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Clocapramine
CID 2793
Carpipramine dihydrochloride anhydrous
CID 23476
1-acetyl-N-(3-(4-benzylpiperidin-1-yl)propyl)-N-phenylpiperidine-4-carboxamide
CID 3013673
(2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 57456630
N-[[4-(4-benzylpiperazin-1-yl)-1-methylpiperidin-4-yl]methyl]-N-phenylpropanamide
CID 126539557
1-[3-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 11577221
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

Frequently Asked Questions

What is the IUPAC name of Carpipramine?
The IUPAC name of Carpipramine (CID 2580) is 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for Carpipramine?
The canonical SMILES for Carpipramine is NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of Carpipramine?
The InChIKey is NWPJLRSCSQHPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O/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).
What are the key properties of Carpipramine?
Carpipramine has a molecular weight of 446.64 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Carpipramine is sourced from PubChem (CID 2580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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