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

C23H29N3O3S — CID 91913566

IUPAC[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C)c(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCCC3)C2)s1
InChIInChI=1S/C23H29N3O3S/c1-16-21(30-17(2)24-16)23(28)26-13-7-8-18(14-26)15-29-20-10-4-3-9-19(20)22(27)25-11-5-6-12-25/h3-4,9-10,18H,5-8,11-15H2,1-2H3
InChIKeyZWIHSUQXBKJKFB-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.93
Rot. Bonds5

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

[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 91913566) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID91913566
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C)c(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCCC3)C2)s1
InChIInChI=1S/C23H29N3O3S/c1-16-21(30-17(2)24-16)23(28)26-13-7-8-18(14-26)15-29-20-10-4-3-9-19(20)22(27)25-11-5-6-12-25/h3-4,9-10,18H,5-8,11-15H2,1-2H3
InChIKeyZWIHSUQXBKJKFB-UHFFFAOYSA-N
XLogP3.93
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 91913566) is [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is Cc1nc(C)c(C(=O)N2CCCC(COc3ccccc3C(=O)N3CCCC3)C2)s1.
What is the InChIKey of [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZWIHSUQXBKJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-16-21(30-17(2)24-16)23(28)26-13-7-8-18(14-26)15-29-20-10-4-3-9-19(20)22(27)25-11-5-6-12-25/h3-4,9-10,18H,5-8,11-15H2,1-2H3.
What are the key properties of [2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[2-[[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 427.57 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91913566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).