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

C19H20N4O — CID 9226484

IUPAC1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H20N4O/c24-19(18-13-16-3-1-2-4-17(16)21-18)23-11-9-22(10-12-23)14-15-5-7-20-8-6-15/h1-8,13,21H,9-12,14H2
InChIKeyKNBALALVOBKOCR-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.52
Rot. Bonds3

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

1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 9226484) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID9226484
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H20N4O/c24-19(18-13-16-3-1-2-4-17(16)21-18)23-11-9-22(10-12-23)14-15-5-7-20-8-6-15/h1-8,13,21H,9-12,14H2
InChIKeyKNBALALVOBKOCR-UHFFFAOYSA-N
XLogP2.52
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-2-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 42572629
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
(4,5-dichloro-1H-pyrrol-2-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78833649
1H-indol-2-yl-[4-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 141331067
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 155950361
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9225899
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9184656
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 120751645
(5-methyl-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434949
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3H-1,3-thiazol-2-one
CID 127893675

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 9226484) is 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is KNBALALVOBKOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(18-13-16-3-1-2-4-17(16)21-18)23-11-9-22(10-12-23)14-15-5-7-20-8-6-15/h1-8,13,21H,9-12,14H2.
What are the key properties of 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 320.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9226484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).