(4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

C16H18N2OS — CID 63038262

IUPAC(4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(15-11-20-12-17-15)18-8-6-14(7-9-18)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKeyBJYRZXRZXDDHMA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.24
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

(4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 63038262) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID63038262
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(15-11-20-12-17-15)18-8-6-14(7-9-18)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKeyBJYRZXRZXDDHMA-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 63038262) is (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is BJYRZXRZXDDHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(15-11-20-12-17-15)18-8-6-14(7-9-18)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 286.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 63038262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).