(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone

C21H21ClN2O — CID 113086545

IUPAC(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H21ClN2O/c22-19-7-3-1-6-18(19)21(25)24-11-9-15(10-12-24)13-16-14-23-20-8-4-2-5-17(16)20/h1-8,14-15,23H,9-13H2
InChIKeyAOXGCGBEORDCJW-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.92
Rot. Bonds3

About (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone

(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 113086545) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID113086545
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H21ClN2O/c22-19-7-3-1-6-18(19)21(25)24-11-9-15(10-12-24)13-16-14-23-20-8-4-2-5-17(16)20/h1-8,14-15,23H,9-13H2
InChIKeyAOXGCGBEORDCJW-UHFFFAOYSA-N
XLogP4.92
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086533
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086552
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 55751738
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
(E)-3-(3,4-dichlorophenyl)-1-[4-[[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 44534340
3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086589
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 50768064
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
3-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086588

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone (CID 113086545) is (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is AOXGCGBEORDCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c22-19-7-3-1-6-18(19)21(25)24-11-9-15(10-12-24)13-16-14-23-20-8-4-2-5-17(16)20/h1-8,14-15,23H,9-13H2.
What are the key properties of (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 352.87 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113086545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).