1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride

C26H31ClN2O — CID 174330791

IUPAC1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride
SMILESCCn1cc(C(=O)CCC2CCN(C=Cc3ccccc3)CC2)c2ccccc21.Cl
InChIInChI=1S/C26H30N2O.ClH/c1-2-28-20-24(23-10-6-7-11-25(23)28)26(29)13-12-22-15-18-27(19-16-22)17-14-21-8-4-3-5-9-21;/h3-11,14,17,20,22H,2,12-13,15-16,18-19H2,1H3;1H
InChIKeyBWLBDHOFCHLPNK-UHFFFAOYSA-N
MW423.00 g/mol
LogP6.43
Rot. Bonds7

About 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride

1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride (PubChem CID 174330791) has the molecular formula C26H31ClN2O and a molecular weight of 423.00 g/mol. Its IUPAC name is 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride
PubChem CID174330791
Molecular FormulaC26H31ClN2O
Molecular Weight423.00 g/mol
Exact Mass422.21
IUPAC Name1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride
SMILESCCn1cc(C(=O)CCC2CCN(C=Cc3ccccc3)CC2)c2ccccc21.Cl
InChIInChI=1S/C26H30N2O.ClH/c1-2-28-20-24(23-10-6-7-11-25(23)28)26(29)13-12-22-15-18-27(19-16-22)17-14-21-8-4-3-5-9-21;/h3-11,14,17,20,22H,2,12-13,15-16,18-19H2,1H3;1H
InChIKeyBWLBDHOFCHLPNK-UHFFFAOYSA-N
XLogP6.43
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

1-(5-fluoro-1-methylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one
CID 174320699
(1-ethylindol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 112798203
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
(Z)-4-(1-ethylindol-3-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 139168536
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10429753
1-[1-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]indol-3-yl]butan-1-one
CID 124549553
1-(1-methylindol-3-yl)-3-[1-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]propan-1-one;hydrochloride
CID 67881303
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
1-(2-phenylethenyl)indole-3-carboxylic acid
CID 174661864
3-[1-[[3-(fluoromethyl)phenyl]methyl]piperidin-4-yl]-1-(1-methylindol-3-yl)propan-1-one
CID 10069100
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride?
The IUPAC name of 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride (CID 174330791) is 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride?
The canonical SMILES for 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride is CCn1cc(C(=O)CCC2CCN(C=Cc3ccccc3)CC2)c2ccccc21.Cl.
What is the InChIKey of 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride?
The InChIKey is BWLBDHOFCHLPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O.ClH/c1-2-28-20-24(23-10-6-7-11-25(23)28)26(29)13-12-22-15-18-27(19-16-22)17-14-21-8-4-3-5-9-21;/h3-11,14,17,20,22H,2,12-13,15-16,18-19H2,1H3;1H.
What are the key properties of 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride?
1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride has a molecular weight of 423.00 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylindol-3-yl)-3-[1-(2-phenylethenyl)piperidin-4-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 174330791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).