4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide

C16H20N2O — CID 121187164

IUPAC4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(=C3CC3)CC2)c1
InChIInChI=1S/C16H20N2O/c1-12-3-2-4-15(11-12)17-16(19)18-9-7-14(8-10-18)13-5-6-13/h2-4,11H,5-10H2,1H3,(H,17,19)
InChIKeyOGSHHFZJJQKKEC-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.71
Rot. Bonds1

About 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide

4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 121187164) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID121187164
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(=C3CC3)CC2)c1
InChIInChI=1S/C16H20N2O/c1-12-3-2-4-15(11-12)17-16(19)18-9-7-14(8-10-18)13-5-6-13/h2-4,11H,5-10H2,1H3,(H,17,19)
InChIKeyOGSHHFZJJQKKEC-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Fluometuron
CID 16562
Siduron
CID 16116
Isoproturon
CID 36679
Desmethylfluometuron
CID 98771
Atglistatin
CID 71699712
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
1-(4-Fluorobenzyl)-3-phenylurea
CID 896691
N-(3-Methylphenyl)urea
CID 6142
N,N-Diethyl-N'-phenylurea
CID 13906

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide (CID 121187164) is 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(=C3CC3)CC2)c1.
What is the InChIKey of 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is OGSHHFZJJQKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-3-2-4-15(11-12)17-16(19)18-9-7-14(8-10-18)13-5-6-13/h2-4,11H,5-10H2,1H3,(H,17,19).
What are the key properties of 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide?
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 121187164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).