2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C25H30ClN3O2 — CID 127049128

IUPAC2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CC3CCN(Cc4ccccc4Cl)CC3)c2c1
InChIInChI=1S/C25H30ClN3O2/c1-31-21-6-7-24-22(15-21)19(16-28-24)8-11-27-25(30)14-18-9-12-29(13-10-18)17-20-4-2-3-5-23(20)26/h2-7,15-16,18,28H,8-14,17H2,1H3,(H,27,30)
InChIKeyKUZCIBBEDSNZAX-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.79
Rot. Bonds8

About 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 127049128) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID127049128
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CC3CCN(Cc4ccccc4Cl)CC3)c2c1
InChIInChI=1S/C25H30ClN3O2/c1-31-21-6-7-24-22(15-21)19(16-28-24)8-11-27-25(30)14-18-9-12-29(13-10-18)17-20-4-2-3-5-23(20)26/h2-7,15-16,18,28H,8-14,17H2,1H3,(H,27,30)
InChIKeyKUZCIBBEDSNZAX-UHFFFAOYSA-N
XLogP4.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 127049128) is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(=O)CC3CCN(Cc4ccccc4Cl)CC3)c2c1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is KUZCIBBEDSNZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-31-21-6-7-24-22(15-21)19(16-28-24)8-11-27-25(30)14-18-9-12-29(13-10-18)17-20-4-2-3-5-23(20)26/h2-7,15-16,18,28H,8-14,17H2,1H3,(H,27,30).
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 439.99 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 127049128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).