1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one

C23H31ClN2O — CID 155517675

IUPAC1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C23H31ClN2O/c24-21-15-20(14-19-8-11-25-23(19)21)22(27)7-6-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h8,11,14-15,17-18,25H,1-7,9-10,12-13,16H2
InChIKeyJWNWVBYZLJCIIB-UHFFFAOYSA-N
MW386.97 g/mol
LogP6.08
Rot. Bonds6

About 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one

1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one (PubChem CID 155517675) has the molecular formula C23H31ClN2O and a molecular weight of 386.97 g/mol. Its IUPAC name is 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
PubChem CID155517675
Molecular FormulaC23H31ClN2O
Molecular Weight386.97 g/mol
Exact Mass386.21
IUPAC Name1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c2[nH]ccc2c1
InChIInChI=1S/C23H31ClN2O/c24-21-15-20(14-19-8-11-25-23(19)21)22(27)7-6-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h8,11,14-15,17-18,25H,1-7,9-10,12-13,16H2
InChIKeyJWNWVBYZLJCIIB-UHFFFAOYSA-N
XLogP6.08
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.97
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one with MolForge

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Related Compounds

1-(4-amino-5-chloro-2-fluorophenyl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one
CID 141447139
1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
CID 146008352
4-[4-[3-(3-bromo-5-chlorophenyl)-3-oxopropyl]piperidin-1-yl]-1-cyclopentylbutan-1-one
CID 158051239
3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693
1-(4-amino-3-chlorophenyl)-3-cyclopropylpropan-1-one
CID 116581916
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338547
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
CID 115481878
1-(2-chloro-4-pyridinyl)-4-cyclohexylbutan-1-one
CID 24723729
1-(3,4-dichlorophenyl)-3-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]propan-1-one
CID 58504172
1-[2-chloro-4-[4-(cyclohexylmethyl)piperazine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 170953556
3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
CID 113319049
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one (CID 155517675) is 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one is O=C(CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c2[nH]ccc2c1.
What is the InChIKey of 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one?
The InChIKey is JWNWVBYZLJCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O/c24-21-15-20(14-19-8-11-25-23(19)21)22(27)7-6-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h8,11,14-15,17-18,25H,1-7,9-10,12-13,16H2.
What are the key properties of 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one?
1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one has a molecular weight of 386.97 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1H-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 155517675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).