2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide

C27H36N4O2 — CID 15997197

IUPAC2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C27H36N4O2/c1-19-12-16-30(17-13-19)15-7-14-28-26(32)22-18-31(20-8-3-4-9-20)27(33)25-24(22)21-10-5-6-11-23(21)29(25)2/h5-6,10-11,18-20H,3-4,7-9,12-17H2,1-2H3,(H,28,32)
InChIKeyFFQLXWYHFTZDIZ-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.46
Rot. Bonds6

About 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide

2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide (PubChem CID 15997197) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
PubChem CID15997197
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide
SMILESCC1CCN(CCCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C27H36N4O2/c1-19-12-16-30(17-13-19)15-7-14-28-26(32)22-18-31(20-8-3-4-9-20)27(33)25-24(22)21-10-5-6-11-23(21)29(25)2/h5-6,10-11,18-20H,3-4,7-9,12-17H2,1-2H3,(H,28,32)
InChIKeyFFQLXWYHFTZDIZ-UHFFFAOYSA-N
XLogP4.46
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-(3-ethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15993616
2-cyclopentyl-N-[(4-ethylphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15998477
2-cyclopentyl-N-(3,3-diethoxypropyl)-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 46251156
2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
CID 20851915
2-cyclopentyl-9-methyl-1-oxo-N-[(1-phenylcyclopentyl)methyl]pyrido[3,4-b]indole-4-carboxamide
CID 20851898
1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307091
2-cyclohexyl-4-(4-ethylpiperazine-1-carbonyl)-9-methylpyrido[3,4-b]indol-1-one
CID 20851918
N-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 20851904
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-cyclopentyl-9-methylpyrido[3,4-b]indol-1-one
CID 5322962
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclohexyl-9-methylpyrido[3,4-b]indol-1-one
CID 15990451
N-[2-[butyl(ethyl)amino]ethyl]-2,9-dimethyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15988773
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide (CID 15997197) is 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide is CC1CCN(CCCNC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)CC1.
What is the InChIKey of 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide?
The InChIKey is FFQLXWYHFTZDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-19-12-16-30(17-13-19)15-7-14-28-26(32)22-18-31(20-8-3-4-9-20)27(33)25-24(22)21-10-5-6-11-23(21)29(25)2/h5-6,10-11,18-20H,3-4,7-9,12-17H2,1-2H3,(H,28,32).
What are the key properties of 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide?
2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-1-oxopyrido[3,4-b]indole-4-carboxamide is sourced from PubChem (CID 15997197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).