4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide

C18H27N3O2S — CID 95204397

IUPAC4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)[C@]2(c3cccs3)CC2(C)C)CC1
InChIInChI=1S/C18H27N3O2S/c1-4-19-16(23)21-9-7-13(8-10-21)20-15(22)18(12-17(18,2)3)14-6-5-11-24-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,23)(H,20,22)/t18-/m1/s1
InChIKeyPJBDIJIWVYOSMQ-GOSISDBHSA-N
MW349.50 g/mol
LogP2.73
Rot. Bonds4

About 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide

4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide (PubChem CID 95204397) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide
PubChem CID95204397
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)[C@]2(c3cccs3)CC2(C)C)CC1
InChIInChI=1S/C18H27N3O2S/c1-4-19-16(23)21-9-7-13(8-10-21)20-15(22)18(12-17(18,2)3)14-6-5-11-24-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,23)(H,20,22)/t18-/m1/s1
InChIKeyPJBDIJIWVYOSMQ-GOSISDBHSA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide with MolForge

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Related Compounds

N-ethyl-4-[(4-thiophen-2-ylbenzoyl)amino]piperidine-1-carboxamide
CID 122557673
4-[[(2R)-2-amino-2-phenylacetyl]amino]-N-ethylpiperidine-1-carboxamide
CID 56867282
4-[[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]methyl]benzamide
CID 125439628
(1R)-2,2-dimethyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 99972742
N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822570
N-(cyclopentylmethyl)-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47071744
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736718
(1S)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2,2-dimethyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 95227193
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide (CID 95204397) is 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)[C@]2(c3cccs3)CC2(C)C)CC1.
What is the InChIKey of 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide?
The InChIKey is PJBDIJIWVYOSMQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-4-19-16(23)21-9-7-13(8-10-21)20-15(22)18(12-17(18,2)3)14-6-5-11-24-14/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,23)(H,20,22)/t18-/m1/s1.
What are the key properties of 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide?
4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]amino]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 95204397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).