(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C18H27N7OS — CID 154750758

IUPAC(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)c3nnn(C4CCNCC4)c3C)CC2)cs1
InChIInChI=1S/C18H27N7OS/c1-13-17(21-22-25(13)16-3-5-19-6-4-16)18(26)24-9-7-23(8-10-24)11-15-12-27-14(2)20-15/h12,16,19H,3-11H2,1-2H3
InChIKeyYOJFNJVPXRJABN-UHFFFAOYSA-N
MW389.53 g/mol
LogP1.23
Rot. Bonds4

About (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 154750758) has the molecular formula C18H27N7OS and a molecular weight of 389.53 g/mol. Its IUPAC name is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID154750758
Molecular FormulaC18H27N7OS
Molecular Weight389.53 g/mol
Exact Mass389.20
IUPAC Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)c3nnn(C4CCNCC4)c3C)CC2)cs1
InChIInChI=1S/C18H27N7OS/c1-13-17(21-22-25(13)16-3-5-19-6-4-16)18(26)24-9-7-23(8-10-24)11-15-12-27-14(2)20-15/h12,16,19H,3-11H2,1-2H3
InChIKeyYOJFNJVPXRJABN-UHFFFAOYSA-N
XLogP1.23
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-piperidin-4-ylmethanone
CID 60963485
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119399369
[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 119683408
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 122148386
(4-ethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119794876
[4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119831869
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119869509
(4,4-dimethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119803692
3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120983008
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308013
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 119725076

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 154750758) is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)c3nnn(C4CCNCC4)c3C)CC2)cs1.
What is the InChIKey of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is YOJFNJVPXRJABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7OS/c1-13-17(21-22-25(13)16-3-5-19-6-4-16)18(26)24-9-7-23(8-10-24)11-15-12-27-14(2)20-15/h12,16,19H,3-11H2,1-2H3.
What are the key properties of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 389.53 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 154750758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).