(3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C16H25N3O2S — CID 45173605

IUPAC(3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCCC(N3CCOCC3)C2)cs1
InChIInChI=1S/C16H25N3O2S/c1-12(2)15-17-14(11-22-15)16(20)19-5-3-4-13(10-19)18-6-8-21-9-7-18/h11-13H,3-10H2,1-2H3
InChIKeyKOVCFVRSHMSCAH-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.20
Rot. Bonds3

About (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

(3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 45173605) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID45173605
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCCC(N3CCOCC3)C2)cs1
InChIInChI=1S/C16H25N3O2S/c1-12(2)15-17-14(11-22-15)16(20)19-5-3-4-13(10-19)18-6-8-21-9-7-18/h11-13H,3-10H2,1-2H3
InChIKeyKOVCFVRSHMSCAH-UHFFFAOYSA-N
XLogP2.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 45173605) is (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)N2CCCC(N3CCOCC3)C2)cs1.
What is the InChIKey of (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is KOVCFVRSHMSCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-12(2)15-17-14(11-22-15)16(20)19-5-3-4-13(10-19)18-6-8-21-9-7-18/h11-13H,3-10H2,1-2H3.
What are the key properties of (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
(3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 323.46 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylpiperidin-1-yl)-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 45173605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).