N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide

C24H29N3O — CID 11588880

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c28-24(16-21-17-26-23-9-5-4-8-22(21)23)25-13-10-19-11-14-27(15-12-19)18-20-6-2-1-3-7-20/h1-9,17,19,26H,10-16,18H2,(H,25,28)
InChIKeyQVABANWNMXGOAK-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.13
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 11588880) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID11588880
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c28-24(16-21-17-26-23-9-5-4-8-22(21)23)25-13-10-19-11-14-27(15-12-19)18-20-6-2-1-3-7-20/h1-9,17,19,26H,10-16,18H2,(H,25,28)
InChIKeyQVABANWNMXGOAK-UHFFFAOYSA-N
XLogP4.13
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide (CID 11588880) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is QVABANWNMXGOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c28-24(16-21-17-26-23-9-5-4-8-22(21)23)25-13-10-19-11-14-27(15-12-19)18-20-6-2-1-3-7-20/h1-9,17,19,26H,10-16,18H2,(H,25,28).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 11588880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).