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

C13H18N4O2S — CID 47307512

IUPAC1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)NC2CC2)C1
InChIInChI=1S/C13H18N4O2S/c18-11(16-12-14-5-7-20-12)9-2-1-6-17(8-9)13(19)15-10-3-4-10/h5,7,9-10H,1-4,6,8H2,(H,15,19)(H,14,16,18)
InChIKeySYBKRPBFZOKWHE-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds3

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

1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 47307512) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
PubChem CID47307512
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCCN(C(=O)NC2CC2)C1
InChIInChI=1S/C13H18N4O2S/c18-11(16-12-14-5-7-20-12)9-2-1-6-17(8-9)13(19)15-10-3-4-10/h5,7,9-10H,1-4,6,8H2,(H,15,19)(H,14,16,18)
InChIKeySYBKRPBFZOKWHE-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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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (CID 47307512) is 1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)NC2CC2)C1.
What is the InChIKey of 1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The InChIKey is SYBKRPBFZOKWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-11(16-12-14-5-7-20-12)9-2-1-6-17(8-9)13(19)15-10-3-4-10/h5,7,9-10H,1-4,6,8H2,(H,15,19)(H,14,16,18).
What are the key properties of 1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
1-N-cyclopropyl-3-N-(1,3-thiazol-2-yl)piperidine-1,3-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-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 47307512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).