1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

C13H18N4O2S — CID 47245076

IUPAC1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C13H18N4O2S/c18-11(16-12-14-5-8-20-12)9-3-6-17(7-4-9)13(19)15-10-1-2-10/h5,8-10H,1-4,6-7H2,(H,15,19)(H,14,16,18)
InChIKeySEMMPXHMBNUFGR-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds3

About 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 47245076) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID47245076
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCN(C(=O)NC2CC2)CC1
InChIInChI=1S/C13H18N4O2S/c18-11(16-12-14-5-8-20-12)9-3-6-17(7-4-9)13(19)15-10-1-2-10/h5,8-10H,1-4,6-7H2,(H,15,19)(H,14,16,18)
InChIKeySEMMPXHMBNUFGR-UHFFFAOYSA-N
XLogP1.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47387426
1-N-cyclohexyl-4-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 656355
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647
(3S)-1-pyrimidin-2-yl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 124976321
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
3-N-(1,3-thiazol-2-yl)-1-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-1,3-dicarboxamide
CID 55911639
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 52534338
3-[1-(1,3-thiazol-2-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 62217199
1-N-cyclohexyl-4-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 1458195
N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 127561429
1-(4-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4822373

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide (CID 47245076) is 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide is O=C(Nc1nccs1)C1CCN(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is SEMMPXHMBNUFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-11(16-12-14-5-8-20-12)9-3-6-17(7-4-9)13(19)15-10-1-2-10/h5,8-10H,1-4,6-7H2,(H,15,19)(H,14,16,18).
What are the key properties of 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 47245076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).