4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one

C21H21N3O2 — CID 29259304

IUPAC4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc3ccccc3[nH]2)CCN1CCc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-20-15-24(13-12-23(20)11-10-16-6-2-1-3-7-16)21(26)19-14-17-8-4-5-9-18(17)22-19/h1-9,14,22H,10-13,15H2
InChIKeyLFYLAVPMNFEMIY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.69
Rot. Bonds4

About 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one

4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one (PubChem CID 29259304) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one
PubChem CID29259304
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc3ccccc3[nH]2)CCN1CCc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-20-15-24(13-12-23(20)11-10-16-6-2-1-3-7-16)21(26)19-14-17-8-4-5-9-18(17)22-19/h1-9,14,22H,10-13,15H2
InChIKeyLFYLAVPMNFEMIY-UHFFFAOYSA-N
XLogP2.69
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
1-(1H-indole-2-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626984
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 71946894
1-(1H-indole-2-carbonyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 42467254
4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one
CID 91786581
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
4-[4-(1H-indole-2-carbonyl)piperazin-1-yl]butanenitrile
CID 51107120
(1-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(1H-indol-2-yl)methanone
CID 155092510
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one?
The IUPAC name of 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one (CID 29259304) is 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one.
What is the SMILES notation for 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one?
The canonical SMILES for 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one is O=C1CN(C(=O)c2cc3ccccc3[nH]2)CCN1CCc1ccccc1.
What is the InChIKey of 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one?
The InChIKey is LFYLAVPMNFEMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20-15-24(13-12-23(20)11-10-16-6-2-1-3-7-16)21(26)19-14-17-8-4-5-9-18(17)22-19/h1-9,14,22H,10-13,15H2.
What are the key properties of 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one?
4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one has a molecular weight of 347.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indole-2-carbonyl)-1-(2-phenylethyl)piperazin-2-one is sourced from PubChem (CID 29259304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).