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

C25H31N3O — CID 11625278

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31N3O/c29-25(11-10-22-18-27-24-9-5-4-8-23(22)24)26-15-12-20-13-16-28(17-14-20)19-21-6-2-1-3-7-21/h1-9,18,20,27H,10-17,19H2,(H,26,29)
InChIKeyWXTKBXGKRLFVQP-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.52
Rot. Bonds8

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 11625278) 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]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID11625278
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31N3O/c29-25(11-10-22-18-27-24-9-5-4-8-23(22)24)26-15-12-20-13-16-28(17-14-20)19-21-6-2-1-3-7-21/h1-9,18,20,27H,10-17,19H2,(H,26,29)
InChIKeyWXTKBXGKRLFVQP-UHFFFAOYSA-N
XLogP4.52
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.52
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]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 11625278) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is WXTKBXGKRLFVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c29-25(11-10-22-18-27-24-9-5-4-8-23(22)24)26-15-12-20-13-16-28(17-14-20)19-21-6-2-1-3-7-21/h1-9,18,20,27H,10-17,19H2,(H,26,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 389.54 g/mol, XLogP of 4.52, 8 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]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 11625278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).