1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one

C22H23ClN2O — CID 113087483

IUPAC1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C22H23ClN2O/c23-18-7-8-21-19(14-18)20(15-24-21)17-10-12-25(13-11-17)22(26)9-6-16-4-2-1-3-5-16/h1-5,7-8,14-15,17,24H,6,9-13H2
InChIKeyGLLDVUOLOVAOMM-UHFFFAOYSA-N
MW366.89 g/mol
LogP5.16
Rot. Bonds4

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

1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 113087483) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID113087483
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C22H23ClN2O/c23-18-7-8-21-19(14-18)20(15-24-21)17-10-12-25(13-11-17)22(26)9-6-16-4-2-1-3-5-16/h1-5,7-8,14-15,17,24H,6,9-13H2
InChIKeyGLLDVUOLOVAOMM-UHFFFAOYSA-N
XLogP5.16
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 113087458
1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087714
[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 113087464
3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
CID 55910561
4-(5-chloro-1H-indol-3-yl)-N-cyclohexylpiperidine-1-carboxamide
CID 113087497
4-(5-chloro-1H-indol-3-yl)-N-[[4-(dimethylamino)-4-phenylcyclohexyl]methyl]piperidine-1-carboxamide
CID 10327255
4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 60571114
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
1-(3-benzylpiperidin-1-yl)-4-(5-chloro-1H-indol-3-yl)butan-1-one
CID 18330255
3-(3,4-dimethoxyphenyl)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 113087764
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 113087483) is 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is GLLDVUOLOVAOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c23-18-7-8-21-19(14-18)20(15-24-21)17-10-12-25(13-11-17)22(26)9-6-16-4-2-1-3-5-16/h1-5,7-8,14-15,17,24H,6,9-13H2.
What are the key properties of 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 366.89 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 113087483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).