N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride

C27H34Cl2N4O — CID 70221483

About N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride

N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride (PubChem CID 70221483) has the molecular formula C27H34Cl2N4O and a molecular weight of 501.50 g/mol. Its IUPAC name is N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride
• PubChem CID: 70221483
• Molecular Formula: C27H34Cl2N4O
• Molecular Weight: 501.50 g/mol
• Exact Mass: 500.21
• IUPAC Name: N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride
• SMILES: CCCC(NC(=O)c1ccc2[nH]c3c(c2c1)CCC3)N1CCN(c2cccc(Cl)c2C)CC1.Cl
• InChI: InChI=1S/C27H33ClN4O.ClH/c1-3-6-26(32-15-13-31(14-16-32)25-10-5-8-22(28)18(25)2)30-27(33)19-11-12-24-21(17-19)20-7-4-9-23(20)29-24;/h5,8,10-12,17,26,29H,3-4,6-7,9,13-16H2,1-2H3,(H,30,33);1H
• InChIKey: LDODDNQQKHJCKQ-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 51.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.50
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride?

The IUPAC name of N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride (CID 70221483) is N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride.

What is the SMILES notation for N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride?

The canonical SMILES for N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride is CCCC(NC(=O)c1ccc2[nH]c3c(c2c1)CCC3)N1CCN(c2cccc(Cl)c2C)CC1.Cl.

What is the InChIKey of N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride?

The InChIKey is LDODDNQQKHJCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O.ClH/c1-3-6-26(32-15-13-31(14-16-32)25-10-5-8-22(28)18(25)2)30-27(33)19-11-12-24-21(17-19)20-7-4-9-23(20)29-24;/h5,8,10-12,17,26,29H,3-4,6-7,9,13-16H2,1-2H3,(H,30,33);1H.

What are the key properties of N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride?

N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride has a molecular weight of 501.50 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboxamide;hydrochloride is sourced from PubChem (CID 70221483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).