(4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone

C30H38N4O — CID 68622991

IUPAC(4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone
SMILESO=C(c1ccc2c(ccn2C(Cc2ccccc2)C2CCCNC2)c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C30H38N4O/c35-30(33-18-16-32(17-19-33)27-9-4-10-27)25-11-12-28-24(21-25)13-15-34(28)29(26-8-5-14-31-22-26)20-23-6-2-1-3-7-23/h1-3,6-7,11-13,15,21,26-27,29,31H,4-5,8-10,14,16-20,22H2
InChIKeyFXIXSJKHPUCHLS-UHFFFAOYSA-N
MW470.66 g/mol
LogP4.74
Rot. Bonds6

About (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone

(4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone (PubChem CID 68622991) has the molecular formula C30H38N4O and a molecular weight of 470.66 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone
PubChem CID68622991
Molecular FormulaC30H38N4O
Molecular Weight470.66 g/mol
Exact Mass470.30
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone
SMILESO=C(c1ccc2c(ccn2C(Cc2ccccc2)C2CCCNC2)c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C30H38N4O/c35-30(33-18-16-32(17-19-33)27-9-4-10-27)25-11-12-28-24(21-25)13-15-34(28)29(26-8-5-14-31-22-26)20-23-6-2-1-3-7-23/h1-3,6-7,11-13,15,21,26-27,29,31H,4-5,8-10,14,16-20,22H2
InChIKeyFXIXSJKHPUCHLS-UHFFFAOYSA-N
XLogP4.74
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone with MolForge

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Related Compounds

3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile
CID 24986519
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
CID 134020797
(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone
CID 141186265
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
[4-(oxan-4-yl)piperazin-1-yl]-[4-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97189193
4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
CID 66840110
(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
CID 68624872
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone (CID 68622991) is (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone is O=C(c1ccc2c(ccn2C(Cc2ccccc2)C2CCCNC2)c1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone?
The InChIKey is FXIXSJKHPUCHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O/c35-30(33-18-16-32(17-19-33)27-9-4-10-27)25-11-12-28-24(21-25)13-15-34(28)29(26-8-5-14-31-22-26)20-23-6-2-1-3-7-23/h1-3,6-7,11-13,15,21,26-27,29,31H,4-5,8-10,14,16-20,22H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone?
(4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone has a molecular weight of 470.66 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone is sourced from PubChem (CID 68622991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).