N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide

C15H21N3O3S — CID 167976829

IUPACN-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ncc(C3(O)CCCCC3)s2)CCN1
InChIInChI=1S/C15H21N3O3S/c19-12-8-10(4-7-16-12)13(20)18-14-17-9-11(22-14)15(21)5-2-1-3-6-15/h9-10,21H,1-8H2,(H,16,19)(H,17,18,20)
InChIKeyIFGGPIZQIDGIQQ-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.76
Rot. Bonds3

About N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide

N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide (PubChem CID 167976829) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide
PubChem CID167976829
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ncc(C3(O)CCCCC3)s2)CCN1
InChIInChI=1S/C15H21N3O3S/c19-12-8-10(4-7-16-12)13(20)18-14-17-9-11(22-14)15(21)5-2-1-3-6-15/h9-10,21H,1-8H2,(H,16,19)(H,17,18,20)
InChIKeyIFGGPIZQIDGIQQ-UHFFFAOYSA-N
XLogP1.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide (CID 167976829) is N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide is O=C1CC(C(=O)Nc2ncc(C3(O)CCCCC3)s2)CCN1.
What is the InChIKey of N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide?
The InChIKey is IFGGPIZQIDGIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c19-12-8-10(4-7-16-12)13(20)18-14-17-9-11(22-14)15(21)5-2-1-3-6-15/h9-10,21H,1-8H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide?
N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxycyclohexyl)-1,3-thiazol-2-yl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 167976829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).