[2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone

C28H35ClN2O — CID 57433210

IUPAC[2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1c2ccccc2CCC1CN1CCC(c2cccc(Cl)c2)CC1
InChIInChI=1S/C28H35ClN2O/c29-25-11-6-10-24(19-25)21-15-17-30(18-16-21)20-26-14-13-22-7-4-5-12-27(22)31(26)28(32)23-8-2-1-3-9-23/h4-7,10-12,19,21,23,26H,1-3,8-9,13-18,20H2
InChIKeyKUNALHQYCTZCSU-UHFFFAOYSA-N
MW451.05 g/mol
LogP6.45
Rot. Bonds4

About [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone

[2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone (PubChem CID 57433210) has the molecular formula C28H35ClN2O and a molecular weight of 451.05 g/mol. Its IUPAC name is [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone
PubChem CID57433210
Molecular FormulaC28H35ClN2O
Molecular Weight451.05 g/mol
Exact Mass450.24
IUPAC Name[2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1c2ccccc2CCC1CN1CCC(c2cccc(Cl)c2)CC1
InChIInChI=1S/C28H35ClN2O/c29-25-11-6-10-24(19-25)21-15-17-30(18-16-21)20-26-14-13-22-7-4-5-12-27(22)31(26)28(32)23-8-2-1-3-9-23/h4-7,10-12,19,21,23,26H,1-3,8-9,13-18,20H2
InChIKeyKUNALHQYCTZCSU-UHFFFAOYSA-N
XLogP6.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.05
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone with MolForge

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Related Compounds

[2-[[2-(4-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone
CID 57433192
cyclohexyl-[2-[(4-quinolin-8-ylpiperazin-1-yl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 10140004
1-[4-[4-[[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]piperazin-1-yl]indol-1-yl]ethanone
CID 10228687
cyclohexyl-[2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 57433144
cyclohexyl-[2-[(3-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 91601495
cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone
CID 10181887
4-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]benzoic acid
CID 122033759
1-[4-[3-(3-chlorophenyl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146150629
3-[3-[4-(3-chlorophenyl)piperidin-1-yl]propyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 59939371
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
1-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 97270431
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133189718

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone?
The IUPAC name of [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone (CID 57433210) is [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1c2ccccc2CCC1CN1CCC(c2cccc(Cl)c2)CC1.
What is the InChIKey of [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone?
The InChIKey is KUNALHQYCTZCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN2O/c29-25-11-6-10-24(19-25)21-15-17-30(18-16-21)20-26-14-13-22-7-4-5-12-27(22)31(26)28(32)23-8-2-1-3-9-23/h4-7,10-12,19,21,23,26H,1-3,8-9,13-18,20H2.
What are the key properties of [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone?
[2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone has a molecular weight of 451.05 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(3-chlorophenyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-quinolin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 57433210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).