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

C16H27N5O2S — CID 6489303

IUPAC[4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C(C)C
InChIInChI=1S/C16H27N5O2S/c1-12(2)21-14(17-18-15(21)24-3)13-4-6-19(7-5-13)16(22)20-8-10-23-11-9-20/h12-13H,4-11H2,1-3H3
InChIKeyBYHIIYJYCKNODY-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.21
Rot. Bonds3

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

[4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 6489303) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID6489303
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name[4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C(C)C
InChIInChI=1S/C16H27N5O2S/c1-12(2)21-14(17-18-15(21)24-3)13-4-6-19(7-5-13)16(22)20-8-10-23-11-9-20/h12-13H,4-11H2,1-3H3
InChIKeyBYHIIYJYCKNODY-UHFFFAOYSA-N
XLogP2.21
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 3212508
2-[[4-(2-Methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3212512
[4-(5-Methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 6489314
2-Ethoxy-1-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 50971282
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
[4-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 3231947
[4-(5-Ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 3231948
2-[4-(5-Ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 3231953
[2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 3232026
[2-(5-Ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 3232027
[2-(4-Ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 3232028

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 6489303) is [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone is CSc1nnc(C2CCN(C(=O)N3CCOCC3)CC2)n1C(C)C.
What is the InChIKey of [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is BYHIIYJYCKNODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-12(2)21-14(17-18-15(21)24-3)13-4-6-19(7-5-13)16(22)20-8-10-23-11-9-20/h12-13H,4-11H2,1-3H3.
What are the key properties of [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
[4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 353.49 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 6489303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).