N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide

C16H21N3O — CID 54347283

IUPACN-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide
SMILESCCN1CCC(c2c[nH]c3cccc(NC=O)c23)CC1
InChIInChI=1S/C16H21N3O/c1-2-19-8-6-12(7-9-19)13-10-17-14-4-3-5-15(16(13)14)18-11-20/h3-5,10-12,17H,2,6-9H2,1H3,(H,18,20)
InChIKeyUDEDMMHVHXJBCN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds4

About N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide

N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide (PubChem CID 54347283) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide.

Molecular Properties

Compound NameN-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide
PubChem CID54347283
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide
SMILESCCN1CCC(c2c[nH]c3cccc(NC=O)c23)CC1
InChIInChI=1S/C16H21N3O/c1-2-19-8-6-12(7-9-19)13-10-17-14-4-3-5-15(16(13)14)18-11-20/h3-5,10-12,17H,2,6-9H2,1H3,(H,18,20)
InChIKeyUDEDMMHVHXJBCN-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'}

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Related Compounds

3-(1-ethylpiperidin-4-yl)-1H-indole-4-carbonitrile;oxalic acid
CID 18797394
N-[2-(1-ethylpiperidin-4-yl)-1H-indol-7-yl]formamide
CID 54565210
2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141562
N-(2-chlorophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetamide
CID 17498519
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]-methyl-methylidene-oxo-λ6-sulfane
CID 123347989
2-(1-ethylpiperidin-4-yl)benzonitrile
CID 71091815
3-cyclobutyl-4-fluoro-1H-indole
CID 86277821
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
CID 123608868
1-ethyl-4-(2-fluoro-3-methylsulfinylphenyl)piperidine
CID 57448053
2-acetyl-6-(1-ethylpiperidin-4-yl)benzonitrile
CID 11708664

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide?
The IUPAC name of N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide (CID 54347283) is N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide.
What is the SMILES notation for N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide?
The canonical SMILES for N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide is CCN1CCC(c2c[nH]c3cccc(NC=O)c23)CC1.
What is the InChIKey of N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide?
The InChIKey is UDEDMMHVHXJBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19-8-6-12(7-9-19)13-10-17-14-4-3-5-15(16(13)14)18-11-20/h3-5,10-12,17H,2,6-9H2,1H3,(H,18,20).
What are the key properties of N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide?
N-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-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-[3-(1-ethylpiperidin-4-yl)-1H-indol-4-yl]formamide is sourced from PubChem (CID 54347283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).