N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide

C16H21N3O — CID 54565210

IUPACN-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide
SMILESCCN1CCC(c2cc3cccc(NC=O)c3[nH]2)CC1
InChIInChI=1S/C16H21N3O/c1-2-19-8-6-12(7-9-19)15-10-13-4-3-5-14(17-11-20)16(13)18-15/h3-5,10-12,18H,2,6-9H2,1H3,(H,17,20)
InChIKeyZTIFIAWPCXXAEX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide

N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide (PubChem CID 54565210) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide
PubChem CID54565210
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide
SMILESCCN1CCC(c2cc3cccc(NC=O)c3[nH]2)CC1
InChIInChI=1S/C16H21N3O/c1-2-19-8-6-12(7-9-19)15-10-13-4-3-5-14(17-11-20)16(13)18-15/h3-5,10-12,18H,2,6-9H2,1H3,(H,17,20)
InChIKeyZTIFIAWPCXXAEX-UHFFFAOYSA-N
XLogP2.94
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide (CID 54565210) is N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide is CCN1CCC(c2cc3cccc(NC=O)c3[nH]2)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide?
The InChIKey is ZTIFIAWPCXXAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19-8-6-12(7-9-19)15-10-13-4-3-5-14(17-11-20)16(13)18-15/h3-5,10-12,18H,2,6-9H2,1H3,(H,17,20).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide?
N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide has a molecular weight of 271.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide is sourced from PubChem (CID 54565210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).