(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone

C15H23N3OS — CID 3503776

IUPAC(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CCCN(C(=O)c2csc(C3CCNCC3)n2)C1
InChIInChI=1S/C15H23N3OS/c1-11-3-2-8-18(9-11)15(19)13-10-20-14(17-13)12-4-6-16-7-5-12/h10-12,16H,2-9H2,1H3
InChIKeyPXKQHNJBLLEXOZ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.48
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone

(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 3503776) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
PubChem CID3503776
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CCCN(C(=O)c2csc(C3CCNCC3)n2)C1
InChIInChI=1S/C15H23N3OS/c1-11-3-2-8-18(9-11)15(19)13-10-20-14(17-13)12-4-6-16-7-5-12/h10-12,16H,2-9H2,1H3
InChIKeyPXKQHNJBLLEXOZ-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3687137
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
CID 3678062
(2-cyclopropyl-1,3-thiazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280583
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
(3-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549382
(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 66887064
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 141269853
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone;tert-butyl formate
CID 174632478

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone (CID 3503776) is (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone is CC1CCCN(C(=O)c2csc(C3CCNCC3)n2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is PXKQHNJBLLEXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11-3-2-8-18(9-11)15(19)13-10-20-14(17-13)12-4-6-16-7-5-12/h10-12,16H,2-9H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 293.44 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 3503776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).