2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C24H28ClN3O — CID 127049127

IUPAC2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CC1CCN(Cc2ccccc2Cl)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H28ClN3O/c25-22-7-3-1-5-20(22)17-28-13-10-18(11-14-28)15-24(29)26-12-9-19-16-27-23-8-4-2-6-21(19)23/h1-8,16,18,27H,9-15,17H2,(H,26,29)
InChIKeyPZQXXBORCKVRAX-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.78
Rot. Bonds7

About 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 127049127) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID127049127
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CC1CCN(Cc2ccccc2Cl)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H28ClN3O/c25-22-7-3-1-5-20(22)17-28-13-10-18(11-14-28)15-24(29)26-12-9-19-16-27-23-8-4-2-6-21(19)23/h1-8,16,18,27H,9-15,17H2,(H,26,29)
InChIKeyPZQXXBORCKVRAX-UHFFFAOYSA-N
XLogP4.78
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113107720
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 50768064
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 46981333
2-(2-chlorophenyl)-N-(1H-indol-3-ylmethyl)acetamide
CID 110673257
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 127049127) is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CC1CCN(Cc2ccccc2Cl)CC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is PZQXXBORCKVRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c25-22-7-3-1-5-20(22)17-28-13-10-18(11-14-28)15-24(29)26-12-9-19-16-27-23-8-4-2-6-21(19)23/h1-8,16,18,27H,9-15,17H2,(H,26,29).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 409.96 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 127049127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).