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

C15H23N3OS — CID 3875834

IUPAC(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CCCCN1C(=O)c1csc(C2CCNCC2)n1
InChIInChI=1S/C15H23N3OS/c1-11-4-2-3-9-18(11)15(19)13-10-20-14(17-13)12-5-7-16-8-6-12/h10-12,16H,2-9H2,1H3
InChIKeyUHKOHGVEICKQES-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.62
Rot. Bonds2

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

(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 3875834) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
PubChem CID3875834
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
SMILESCC1CCCCN1C(=O)c1csc(C2CCNCC2)n1
InChIInChI=1S/C15H23N3OS/c1-11-4-2-3-9-18(11)15(19)13-10-20-14(17-13)12-5-7-16-8-6-12/h10-12,16H,2-9H2,1H3
InChIKeyUHKOHGVEICKQES-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3503776
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
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
2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3687137
4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 141489183
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 58924876
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23765843
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 3713443
iodo 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 163733946
azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
CID 3678062

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone (CID 3875834) is (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone is CC1CCCCN1C(=O)c1csc(C2CCNCC2)n1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is UHKOHGVEICKQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11-4-2-3-9-18(11)15(19)13-10-20-14(17-13)12-5-7-16-8-6-12/h10-12,16H,2-9H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 293.44 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 3875834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).