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

C24H28ClN3O — CID 127052937

IUPAC2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CC1CCN(Cc2cccc(Cl)c2)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H28ClN3O/c25-21-5-3-4-19(14-21)17-28-12-9-18(10-13-28)15-24(29)26-11-8-20-16-27-23-7-2-1-6-22(20)23/h1-7,14,16,18,27H,8-13,15,17H2,(H,26,29)
InChIKeySVUDZLKUEMZXNW-UHFFFAOYSA-N
MW409.96 g/mol
LogP4.78
Rot. Bonds7

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

2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 127052937) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID127052937
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CC1CCN(Cc2cccc(Cl)c2)CC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H28ClN3O/c25-21-5-3-4-19(14-21)17-28-12-9-18(10-13-28)15-24(29)26-11-8-20-16-27-23-7-2-1-6-22(20)23/h1-7,14,16,18,27H,8-13,15,17H2,(H,26,29)
InChIKeySVUDZLKUEMZXNW-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 127052937) is 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CC1CCN(Cc2cccc(Cl)c2)CC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is SVUDZLKUEMZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c25-21-5-3-4-19(14-21)17-28-12-9-18(10-13-28)15-24(29)26-11-8-20-16-27-23-7-2-1-6-22(20)23/h1-7,14,16,18,27H,8-13,15,17H2,(H,26,29).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[1-[(3-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-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 127052937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).