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

C20H22N4O — CID 71828821

IUPAC1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C20H22N4O/c25-20(18-1-2-19-17(15-18)5-9-22-19)24-13-11-23(12-14-24)10-6-16-3-7-21-8-4-16/h1-5,7-9,15,22H,6,10-14H2
InChIKeyDRQCCKVTIAPPQE-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.56
Rot. Bonds4

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

1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone (PubChem CID 71828821) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
PubChem CID71828821
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C20H22N4O/c25-20(18-1-2-19-17(15-18)5-9-22-19)24-13-11-23(12-14-24)10-6-16-3-7-21-8-4-16/h1-5,7-9,15,22H,6,10-14H2
InChIKeyDRQCCKVTIAPPQE-UHFFFAOYSA-N
XLogP2.56
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 15166395
[4-[2-(2,5-dichlorothiophen-3-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 22017541
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
1H-indol-5-yl-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methanone
CID 53185116
5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 22017560
(2,4-dichlorophenyl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 37445550
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1H-indole-5-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916342
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
CID 42778117
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
CID 25093354

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone (CID 71828821) is 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone is O=C(c1ccc2[nH]ccc2c1)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone?
The InChIKey is DRQCCKVTIAPPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(18-1-2-19-17(15-18)5-9-22-19)24-13-11-23(12-14-24)10-6-16-3-7-21-8-4-16/h1-5,7-9,15,22H,6,10-14H2.
What are the key properties of 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone?
1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71828821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).