1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C22H32N2O2S — CID 60600003

IUPAC1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)=CC1C(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1(C)C
InChIInChI=1S/C22H32N2O2S/c1-15(2)14-18-19(22(18,3)4)21(26)24-11-8-16(9-12-24)20(25)23-10-7-17-6-5-13-27-17/h5-6,13-14,16,18-19H,7-12H2,1-4H3,(H,23,25)
InChIKeyDULWGUPSRHPMMG-UHFFFAOYSA-N
MW388.58 g/mol
LogP3.88
Rot. Bonds6

About 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 60600003) has the molecular formula C22H32N2O2S and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID60600003
Molecular FormulaC22H32N2O2S
Molecular Weight388.58 g/mol
Exact Mass388.22
IUPAC Name1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(C)=CC1C(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1(C)C
InChIInChI=1S/C22H32N2O2S/c1-15(2)14-18-19(22(18,3)4)21(26)24-11-8-16(9-12-24)20(25)23-10-7-17-6-5-13-27-17/h5-6,13-14,16,18-19H,7-12H2,1-4H3,(H,23,25)
InChIKeyDULWGUPSRHPMMG-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120790556
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
N-(2-thiophen-2-ylethyl)-1-[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxamide
CID 60599914
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599884
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
N-[2-(2-thiophen-2-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115599497
N-(2-thiophen-2-ylethyl)-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-4-carboxamide
CID 86863889

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 60600003) is 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CC(C)=CC1C(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is DULWGUPSRHPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2S/c1-15(2)14-18-19(22(18,3)4)21(26)24-11-8-16(9-12-24)20(25)23-10-7-17-6-5-13-27-17/h5-6,13-14,16,18-19H,7-12H2,1-4H3,(H,23,25).
What are the key properties of 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 388.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60600003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).