[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone

C14H23N5O2S — CID 3231947

IUPAC[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C
InChIInChI=1S/C14H23N5O2S/c1-17-12(15-16-13(17)22-2)11-3-5-18(6-4-11)14(20)19-7-9-21-10-8-19/h11H,3-10H2,1-2H3
InChIKeyXKJFXCDMMZUXIJ-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.17
Rot. Bonds2

About [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone

[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 3231947) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID3231947
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C
InChIInChI=1S/C14H23N5O2S/c1-17-12(15-16-13(17)22-2)11-3-5-18(6-4-11)14(20)19-7-9-21-10-8-19/h11H,3-10H2,1-2H3
InChIKeyXKJFXCDMMZUXIJ-UHFFFAOYSA-N
XLogP1.17
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3212512
2-(4-Methyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451285
[4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 3231964
[4-(4-Ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 3231965
[4-(5-Methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 6489303
2-Ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 50971282
2-(5-Isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 1451359
N,N-dimethyl-1-{4-methyl-5-[1-(morpholin-4-ylcarbonyl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methanamine
CID 70714255
propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70717409
butyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70773602
2-[(4-Ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1451286
[4-(5-Ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 3231948

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 3231947) is [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone is CSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C.
What is the InChIKey of [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is XKJFXCDMMZUXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-17-12(15-16-13(17)22-2)11-3-5-18(6-4-11)14(20)19-7-9-21-10-8-19/h11H,3-10H2,1-2H3.
What are the key properties of [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
[4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 325.44 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3231947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).