(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone

C27H40N4O — CID 68624872

IUPAC(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
SMILESCC1CCCCN1CCCn1ccc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21
InChIInChI=1S/C27H40N4O/c1-22-7-4-5-13-28(22)14-6-15-30-16-12-23-21-24(10-11-26(23)30)27(32)31-19-17-29(18-20-31)25-8-2-3-9-25/h10-12,16,21-22,25H,2-9,13-15,17-20H2,1H3
InChIKeyCEYIZNQGSYZJIT-UHFFFAOYSA-N
MW436.64 g/mol
LogP4.61
Rot. Bonds6

About (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone (PubChem CID 68624872) has the molecular formula C27H40N4O and a molecular weight of 436.64 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
PubChem CID68624872
Molecular FormulaC27H40N4O
Molecular Weight436.64 g/mol
Exact Mass436.32
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
SMILESCC1CCCCN1CCCn1ccc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21
InChIInChI=1S/C27H40N4O/c1-22-7-4-5-13-28(22)14-6-15-30-16-12-23-21-24(10-11-26(23)30)27(32)31-19-17-29(18-20-31)25-8-2-3-9-25/h10-12,16,21-22,25H,2-9,13-15,17-20H2,1H3
InChIKeyCEYIZNQGSYZJIT-UHFFFAOYSA-N
XLogP4.61
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone with MolForge

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Related Compounds

(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 125155690
3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile
CID 24986519
1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one
CID 50840864
(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone
CID 141186265
1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
1-(3,4-dichlorobenzoyl)-N-[4-(2-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 60589630
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46295060

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone (CID 68624872) is (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone is CC1CCCCN1CCCn1ccc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone?
The InChIKey is CEYIZNQGSYZJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O/c1-22-7-4-5-13-28(22)14-6-15-30-16-12-23-21-24(10-11-26(23)30)27(32)31-19-17-29(18-20-31)25-8-2-3-9-25/h10-12,16,21-22,25H,2-9,13-15,17-20H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone has a molecular weight of 436.64 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone is sourced from PubChem (CID 68624872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).