[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone

C20H20N4O2 — CID 110802927

IUPAC[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H20N4O2/c1-14-18(16-6-2-3-7-17(16)22-14)20(26)24-11-9-23(10-12-24)19(25)15-5-4-8-21-13-15/h2-8,13,22H,9-12H2,1H3
InChIKeySRQZZYGVCZSPDV-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.47
Rot. Bonds2

About [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110802927) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID110802927
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C20H20N4O2/c1-14-18(16-6-2-3-7-17(16)22-14)20(26)24-11-9-23(10-12-24)19(25)15-5-4-8-21-13-15/h2-8,13,22H,9-12H2,1H3
InChIKeySRQZZYGVCZSPDV-UHFFFAOYSA-N
XLogP2.47
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-1H-indol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737234
(2-methyl-1H-indol-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 30779142
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
2-ethyl-1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807639
(2-methyl-1H-indol-3-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804851
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95350137
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 38453759
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 38031159

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 110802927) is [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone is Cc1[nH]c2ccccc2c1C(=O)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is SRQZZYGVCZSPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-18(16-6-2-3-7-17(16)22-14)20(26)24-11-9-23(10-12-24)19(25)15-5-4-8-21-13-15/h2-8,13,22H,9-12H2,1H3.
What are the key properties of [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1H-indole-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110802927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).