4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide

C17H22N2O2 — CID 121187160

IUPAC4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-21-16-6-4-3-5-15(16)18-17(20)19-11-9-14(10-12-19)13-7-8-13/h3-6H,2,7-12H2,1H3,(H,18,20)
InChIKeyDCMVPMWQUTUPTK-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.80
Rot. Bonds3

About 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide

4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 121187160) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID121187160
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(=C2CC2)CC1
InChIInChI=1S/C17H22N2O2/c1-2-21-16-6-4-3-5-15(16)18-17(20)19-11-9-14(10-12-19)13-7-8-13/h3-6H,2,7-12H2,1H3,(H,18,20)
InChIKeyDCMVPMWQUTUPTK-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91916489
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
methyl 2-[4-[(2-ethoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113699
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide (CID 121187160) is 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(=C2CC2)CC1.
What is the InChIKey of 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is DCMVPMWQUTUPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-21-16-6-4-3-5-15(16)18-17(20)19-11-9-14(10-12-19)13-7-8-13/h3-6H,2,7-12H2,1H3,(H,18,20).
What are the key properties of 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 121187160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).