2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one

C29H32N4O3 — CID 3244698

IUPAC2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one
SMILESCOc1ccc(N2CCN(C(=O)c3cn(C4CCCC4)c(=O)c4c3c3ccccc3n4C)CC2)cc1
InChIInChI=1S/C29H32N4O3/c1-30-25-10-6-5-9-23(25)26-24(19-33(29(35)27(26)30)21-7-3-4-8-21)28(34)32-17-15-31(16-18-32)20-11-13-22(36-2)14-12-20/h5-6,9-14,19,21H,3-4,7-8,15-18H2,1-2H3
InChIKeyBCZCGNDYTGJWHA-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.58
Rot. Bonds4

About 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one

2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one (PubChem CID 3244698) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one
PubChem CID3244698
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one
SMILESCOc1ccc(N2CCN(C(=O)c3cn(C4CCCC4)c(=O)c4c3c3ccccc3n4C)CC2)cc1
InChIInChI=1S/C29H32N4O3/c1-30-25-10-6-5-9-23(25)26-24(19-33(29(35)27(26)30)21-7-3-4-8-21)28(34)32-17-15-31(16-18-32)20-11-13-22(36-2)14-12-20/h5-6,9-14,19,21H,3-4,7-8,15-18H2,1-2H3
InChIKeyBCZCGNDYTGJWHA-UHFFFAOYSA-N
XLogP4.58
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one?
The IUPAC name of 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one (CID 3244698) is 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one.
What is the SMILES notation for 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one?
The canonical SMILES for 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one is COc1ccc(N2CCN(C(=O)c3cn(C4CCCC4)c(=O)c4c3c3ccccc3n4C)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one?
The InChIKey is BCZCGNDYTGJWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-30-25-10-6-5-9-23(25)26-24(19-33(29(35)27(26)30)21-7-3-4-8-21)28(34)32-17-15-31(16-18-32)20-11-13-22(36-2)14-12-20/h5-6,9-14,19,21H,3-4,7-8,15-18H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one?
2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one has a molecular weight of 484.60 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-9-methylpyrido[3,4-b]indol-1-one is sourced from PubChem (CID 3244698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).