1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone

C17H23N3O — CID 63717494

IUPAC1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H23N3O/c1-13(2)12-19-7-9-20(10-8-19)17(21)15-3-4-16-14(11-15)5-6-18-16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyLNAHUPWUVNEFTI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.58
Rot. Bonds3

About 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone

1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 63717494) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID63717494
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C17H23N3O/c1-13(2)12-19-7-9-20(10-8-19)17(21)15-3-4-16-14(11-15)5-6-18-16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeyLNAHUPWUVNEFTI-UHFFFAOYSA-N
XLogP2.58
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 71828821
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
[4-(1-ethylsulfanylpropan-2-yl)-1,4-diazepan-1-yl]-(1H-indol-5-yl)methanone
CID 138382604
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 25093354
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 22017541

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 63717494) is 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is LNAHUPWUVNEFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)12-19-7-9-20(10-8-19)17(21)15-3-4-16-14(11-15)5-6-18-16/h3-6,11,13,18H,7-10,12H2,1-2H3.
What are the key properties of 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 285.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 63717494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).