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

C16H20N2O — CID 121187165

IUPAC4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=C3CC3)CC2)cc1
InChIInChI=1S/C16H20N2O/c1-12-2-6-15(7-3-12)17-16(19)18-10-8-14(9-11-18)13-4-5-13/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyWLEIXEBEGCRSAM-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.71
Rot. Bonds1

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

4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 121187165) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID121187165
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=C3CC3)CC2)cc1
InChIInChI=1S/C16H20N2O/c1-12-2-6-15(7-3-12)17-16(19)18-10-8-14(9-11-18)13-4-5-13/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19)
InChIKeyWLEIXEBEGCRSAM-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

1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
(10aR)-N-(4-methylphenyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-3-carboxamide
CID 131993361
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
2-methyl-3-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoic acid
CID 122066142
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113104196
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide (CID 121187165) is 4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(=C3CC3)CC2)cc1.
What is the InChIKey of 4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is WLEIXEBEGCRSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-2-6-15(7-3-12)17-16(19)18-10-8-14(9-11-18)13-4-5-13/h2-3,6-7H,4-5,8-11H2,1H3,(H,17,19).
What are the key properties of 4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide?
4-cyclopropylidene-N-(4-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-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 121187165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).