[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone

C23H29N3O4S — CID 91913568

IUPAC[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1nc(C)c(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCOCC3)C2)s1
InChIInChI=1S/C23H29N3O4S/c1-16-21(31-17(2)24-16)23(28)26-9-5-6-18(14-26)15-30-20-8-4-3-7-19(20)22(27)25-10-12-29-13-11-25/h3-4,7-8,18H,5-6,9-15H2,1-2H3
InChIKeyPRQJBIUNBJDZBC-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.16
Rot. Bonds5

About [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone

[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone (PubChem CID 91913568) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
PubChem CID91913568
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
SMILESCc1nc(C)c(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCOCC3)C2)s1
InChIInChI=1S/C23H29N3O4S/c1-16-21(31-17(2)24-16)23(28)26-9-5-6-18(14-26)15-30-20-8-4-3-7-19(20)22(27)25-10-12-29-13-11-25/h3-4,7-8,18H,5-6,9-15H2,1-2H3
InChIKeyPRQJBIUNBJDZBC-UHFFFAOYSA-N
XLogP3.16
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone (CID 91913568) is [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone is Cc1nc(C)c(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCOCC3)C2)s1.
What is the InChIKey of [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
The InChIKey is PRQJBIUNBJDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-21(31-17(2)24-16)23(28)26-9-5-6-18(14-26)15-30-20-8-4-3-7-19(20)22(27)25-10-12-29-13-11-25/h3-4,7-8,18H,5-6,9-15H2,1-2H3.
What are the key properties of [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone?
[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone has a molecular weight of 443.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91913568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).