(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C23H28N4O — CID 55597469

IUPAC(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc2cc(C(=O)N3CCN(Cc4cccnc4)CC3)[nH]c2c1
InChIInChI=1S/C23H28N4O/c1-23(2,3)19-7-6-18-13-21(25-20(18)14-19)22(28)27-11-9-26(10-12-27)16-17-5-4-8-24-15-17/h4-8,13-15,25H,9-12,16H2,1-3H3
InChIKeyPSZFNCLSVFVYNU-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.82
Rot. Bonds3

About (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 55597469) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID55597469
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc2cc(C(=O)N3CCN(Cc4cccnc4)CC3)[nH]c2c1
InChIInChI=1S/C23H28N4O/c1-23(2,3)19-7-6-18-13-21(25-20(18)14-19)22(28)27-11-9-26(10-12-27)16-17-5-4-8-24-15-17/h4-8,13-15,25H,9-12,16H2,1-3H3
InChIKeyPSZFNCLSVFVYNU-UHFFFAOYSA-N
XLogP3.82
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55822131
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
(4-bromo-1H-pyrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572632
[4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55597997
4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 134035755
1H-pyrazol-4-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 60785975
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 55597469) is (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is CC(C)(C)c1ccc2cc(C(=O)N3CCN(Cc4cccnc4)CC3)[nH]c2c1.
What is the InChIKey of (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is PSZFNCLSVFVYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-23(2,3)19-7-6-18-13-21(25-20(18)14-19)22(28)27-11-9-26(10-12-27)16-17-5-4-8-24-15-17/h4-8,13-15,25H,9-12,16H2,1-3H3.
What are the key properties of (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55597469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).