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

C25H31N3O — CID 11603489

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCCC2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H31N3O/c1-27-19-22(23-9-5-6-10-24(23)27)17-25(29)26-14-11-20-12-15-28(16-13-20)18-21-7-3-2-4-8-21/h2-10,19-20H,11-18H2,1H3,(H,26,29)
InChIKeyYMWXRPAGHCBLJY-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.14
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 11603489) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID11603489
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCCC2CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C25H31N3O/c1-27-19-22(23-9-5-6-10-24(23)27)17-25(29)26-14-11-20-12-15-28(16-13-20)18-21-7-3-2-4-8-21/h2-10,19-20H,11-18H2,1H3,(H,26,29)
InChIKeyYMWXRPAGHCBLJY-UHFFFAOYSA-N
XLogP4.14
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide (CID 11603489) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)NCCC2CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is YMWXRPAGHCBLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-27-19-22(23-9-5-6-10-24(23)27)17-25(29)26-14-11-20-12-15-28(16-13-20)18-21-7-3-2-4-8-21/h2-10,19-20H,11-18H2,1H3,(H,26,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 389.54 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 11603489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).