1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride

C34H47ClN2O — CID 161464168

IUPAC1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride
SMILESCc1cccc(C(CC(=O)CCCC2CCNCC2)c2cn(CCC3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C34H46N2O.ClH/c1-26-9-7-13-29(23-26)32(24-30(37)14-8-12-28-17-20-35-21-18-28)33-25-36(34-16-6-5-15-31(33)34)22-19-27-10-3-2-4-11-27;/h5-7,9,13,15-16,23,25,27-28,32,35H,2-4,8,10-12,14,17-22,24H2,1H3;1H
InChIKeyAFZZCDZDFXTHDR-UHFFFAOYSA-N
MW535.22 g/mol
LogP8.60
Rot. Bonds11

About 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride

1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride (PubChem CID 161464168) has the molecular formula C34H47ClN2O and a molecular weight of 535.22 g/mol. Its IUPAC name is 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride
PubChem CID161464168
Molecular FormulaC34H47ClN2O
Molecular Weight535.22 g/mol
Exact Mass534.34
IUPAC Name1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride
SMILESCc1cccc(C(CC(=O)CCCC2CCNCC2)c2cn(CCC3CCCCC3)c3ccccc23)c1.Cl
InChIInChI=1S/C34H46N2O.ClH/c1-26-9-7-13-29(23-26)32(24-30(37)14-8-12-28-17-20-35-21-18-28)33-25-36(34-16-6-5-15-31(33)34)22-19-27-10-3-2-4-11-27;/h5-7,9,13,15-16,23,25,27-28,32,35H,2-4,8,10-12,14,17-22,24H2,1H3;1H
InChIKeyAFZZCDZDFXTHDR-UHFFFAOYSA-N
XLogP8.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.22
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride with MolForge

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Related Compounds

1-(cyclohexylmethyl)-3-[1-(3-methylphenyl)-4-piperidin-4-ylbutyl]indole
CID 158088466
5-(4-aminocyclohexyl)-1-[1-(cyclohexylmethyl)indol-3-yl]-1-(3-methylphenyl)pentan-3-one;hydrochloride
CID 158883705
1-(7-benzylpyrrolo[2,3-d]pyrimidin-5-yl)-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one
CID 158911627
3-[1-(cyclopentylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579389
1-(4-aminocyclohexyl)-4-(3-methylphenyl)-4-[1-(piperidin-4-ylmethyl)indol-3-yl]butan-2-one;methane
CID 160968186
4-[1-[(4,4-difluorocyclohexyl)methyl]indol-3-yl]-4-(3-methylphenyl)-1-piperidin-4-ylbutan-2-one;hydrochloride
CID 162258923
1-[4-(2-aminoethyl)piperidin-1-yl]-3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propan-1-one
CID 142579700
3-[5-bromo-1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 157211612
1-[1-(cyclohexylmethyl)indol-3-yl]-6-piperidin-4-ylhexan-3-one;hydrochloride
CID 162111790
3-[1-(cyclohexylmethyl)-5-fluoroindol-3-yl]-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 142579632
1-(1-benzylindol-3-yl)-1-(3-methylphenyl)-6-pyridin-4-ylhexan-3-one;hydrochloride
CID 157298072
4-[[3-[1-(cyclohexylmethyl)indol-3-yl]-3-(3-methylphenyl)propanoyl]amino]-N-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 166691488

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride?
The IUPAC name of 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride (CID 161464168) is 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride.
What is the SMILES notation for 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride?
The canonical SMILES for 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride is Cc1cccc(C(CC(=O)CCCC2CCNCC2)c2cn(CCC3CCCCC3)c3ccccc23)c1.Cl.
What is the InChIKey of 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride?
The InChIKey is AFZZCDZDFXTHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2O.ClH/c1-26-9-7-13-29(23-26)32(24-30(37)14-8-12-28-17-20-35-21-18-28)33-25-36(34-16-6-5-15-31(33)34)22-19-27-10-3-2-4-11-27;/h5-7,9,13,15-16,23,25,27-28,32,35H,2-4,8,10-12,14,17-22,24H2,1H3;1H.
What are the key properties of 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride?
1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride has a molecular weight of 535.22 g/mol, XLogP of 8.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclohexylethyl)indol-3-yl]-1-(3-methylphenyl)-6-piperidin-4-ylhexan-3-one;hydrochloride is sourced from PubChem (CID 161464168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).