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'}

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Related Compounds

4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 130320192
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 27869928

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).