1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one

C24H27N3O — CID 3539661

IUPAC1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)c1c[nH]c2ccccc12)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O/c1-19(24(28)22-18-25-23-12-6-5-11-21(22)23)27-16-14-26(15-17-27)13-7-10-20-8-3-2-4-9-20/h2-12,18-19,25H,13-17H2,1H3
InChIKeyKAJNQKTWZFGKOA-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.07
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one

1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one (PubChem CID 3539661) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
PubChem CID3539661
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)c1c[nH]c2ccccc12)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O/c1-19(24(28)22-18-25-23-12-6-5-11-21(22)23)27-16-14-26(15-17-27)13-7-10-20-8-3-2-4-9-20/h2-12,18-19,25H,13-17H2,1H3
InChIKeyKAJNQKTWZFGKOA-UHFFFAOYSA-N
XLogP4.07
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 39339728
(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 8597001
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 51281818
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 90511890
1-[4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 56792883
(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 8693613
tert-butyl 4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60587797
(2R)-N-(methylcarbamoyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 2447593
(2S)-1-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]propan-1-one
CID 7735287
1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 46662835

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one (CID 3539661) is 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one is CC(C(=O)c1c[nH]c2ccccc12)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one?
The InChIKey is KAJNQKTWZFGKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-19(24(28)22-18-25-23-12-6-5-11-21(22)23)27-16-14-26(15-17-27)13-7-10-20-8-3-2-4-9-20/h2-12,18-19,25H,13-17H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one?
1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one has a molecular weight of 373.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 3539661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).