[4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C20H25N3O2S — CID 70779669

IUPAC[4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(OC2(C(=O)N3CCCC3c3nccs3)CCNCC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-15-4-6-16(7-5-15)25-20(8-10-21-11-9-20)19(24)23-13-2-3-17(23)18-22-12-14-26-18/h4-7,12,14,17,21H,2-3,8-11,13H2,1H3
InChIKeyBSFMJDVHKHDSKM-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.32
Rot. Bonds4

About [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

[4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 70779669) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID70779669
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(OC2(C(=O)N3CCCC3c3nccs3)CCNCC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-15-4-6-16(7-5-15)25-20(8-10-21-11-9-20)19(24)23-13-2-3-17(23)18-22-12-14-26-18/h4-7,12,14,17,21H,2-3,8-11,13H2,1H3
InChIKeyBSFMJDVHKHDSKM-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 70779669) is [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc(OC2(C(=O)N3CCCC3c3nccs3)CCNCC2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is BSFMJDVHKHDSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-4-6-16(7-5-15)25-20(8-10-21-11-9-20)19(24)23-13-2-3-17(23)18-22-12-14-26-18/h4-7,12,14,17,21H,2-3,8-11,13H2,1H3.
What are the key properties of [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
[4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 371.51 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)piperidin-4-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70779669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).