(2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone

C24H22N4O2 — CID 52946933

IUPAC(2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1c(Oc2ccccc2)n(-c2ccccn2)c2ccccc12)N1CCNCC1
InChIInChI=1S/C24H22N4O2/c29-23(27-16-14-25-15-17-27)22-19-10-4-5-11-20(19)28(21-12-6-7-13-26-21)24(22)30-18-8-2-1-3-9-18/h1-13,25H,14-17H2
InChIKeyHWIUUYROPRXNOV-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.86
Rot. Bonds4

About (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone

(2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone (PubChem CID 52946933) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone
PubChem CID52946933
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name(2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1c(Oc2ccccc2)n(-c2ccccn2)c2ccccc12)N1CCNCC1
InChIInChI=1S/C24H22N4O2/c29-23(27-16-14-25-15-17-27)22-19-10-4-5-11-20(19)28(21-12-6-7-13-26-21)24(22)30-18-8-2-1-3-9-18/h1-13,25H,14-17H2
InChIKeyHWIUUYROPRXNOV-UHFFFAOYSA-N
XLogP3.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piboserod
CID 177336
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole
CID 44158435
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
CID 44250365
[7-Benzyl-2-(5-Fluoro-2-Methylphenoxy)-1-Phenyl-1h-Pyrrolo[2,3-C]pyridin-3-Yl](Piperazin-1-Yl)methanone
CID 53346499
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((6-(phenylmethoxy)-1H-indol-2-yl)carbonyl)-
CID 453392
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-2-(5-methoxy-1H-indol-3-yl)-5-methyl-
CID 466844
benzyl 6-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]hexanoate
CID 50898775
benzyl 4-[4-[(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonylamino)methyl]piperidin-1-yl]butanoate
CID 53325605
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
CID 3728297
N-(4-Piperidylmethyl) 3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
CID 9839803
2-Methoxy-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 11111280

Frequently Asked Questions

What is the IUPAC name of (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone (CID 52946933) is (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone is O=C(c1c(Oc2ccccc2)n(-c2ccccn2)c2ccccc12)N1CCNCC1.
What is the InChIKey of (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is HWIUUYROPRXNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23(27-16-14-25-15-17-27)22-19-10-4-5-11-20(19)28(21-12-6-7-13-26-21)24(22)30-18-8-2-1-3-9-18/h1-13,25H,14-17H2.
What are the key properties of (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone?
(2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxy-1-pyridin-2-ylindol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 52946933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).