1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

C18H25N3O2S — CID 71873441

IUPAC1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cnc(C(NC(=O)C2CCCN(C(=O)C3CC3)C2)C2CC2)s1
InChIInChI=1S/C18H25N3O2S/c1-11-9-19-17(24-11)15(12-4-5-12)20-16(22)14-3-2-8-21(10-14)18(23)13-6-7-13/h9,12-15H,2-8,10H2,1H3,(H,20,22)
InChIKeyFLZKNDGMMHGXEM-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.67
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 71873441) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID71873441
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cnc(C(NC(=O)C2CCCN(C(=O)C3CC3)C2)C2CC2)s1
InChIInChI=1S/C18H25N3O2S/c1-11-9-19-17(24-11)15(12-4-5-12)20-16(22)14-3-2-8-21(10-14)18(23)13-6-7-13/h9,12-15H,2-8,10H2,1H3,(H,20,22)
InChIKeyFLZKNDGMMHGXEM-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide (CID 71873441) is 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is Cc1cnc(C(NC(=O)C2CCCN(C(=O)C3CC3)C2)C2CC2)s1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is FLZKNDGMMHGXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-11-9-19-17(24-11)15(12-4-5-12)20-16(22)14-3-2-8-21(10-14)18(23)13-6-7-13/h9,12-15H,2-8,10H2,1H3,(H,20,22).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 71873441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).