1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone

C14H23N5O2 — CID 95728100

IUPAC1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
SMILESCn1cnnc1C1CCN(C(=O)C[C@@H]2COCCN2)CC1
InChIInChI=1S/C14H23N5O2/c1-18-10-16-17-14(18)11-2-5-19(6-3-11)13(20)8-12-9-21-7-4-15-12/h10-12,15H,2-9H2,1H3/t12-/m1/s1
InChIKeyJFRJBEOZAFEZBR-GFCCVEGCSA-N
MW293.37 g/mol
LogP-0.10
Rot. Bonds3

About 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone

1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone (PubChem CID 95728100) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
PubChem CID95728100
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
SMILESCn1cnnc1C1CCN(C(=O)C[C@@H]2COCCN2)CC1
InChIInChI=1S/C14H23N5O2/c1-18-10-16-17-14(18)11-2-5-19(6-3-11)13(20)8-12-9-21-7-4-15-12/h10-12,15H,2-9H2,1H3/t12-/m1/s1
InChIKeyJFRJBEOZAFEZBR-GFCCVEGCSA-N
XLogP-0.10
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone with MolForge

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Related Compounds

1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-morpholin-3-ylethanone
CID 72923445
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95277579
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96577888
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72896818
2-[(3R)-1,1-dioxothiolan-3-yl]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51943549
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-[(3S)-morpholin-3-yl]ethanone
CID 96581347
1-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96572481
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
4-[1-[2-[(3R)-morpholin-3-yl]acetyl]piperidin-4-yl]oxybenzoic acid
CID 95710502
1-(3-hydroxyazetidin-1-yl)-2-morpholin-3-ylethanone
CID 107217537

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The IUPAC name of 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone (CID 95728100) is 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The canonical SMILES for 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone is Cn1cnnc1C1CCN(C(=O)C[C@@H]2COCCN2)CC1.
What is the InChIKey of 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
The InChIKey is JFRJBEOZAFEZBR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18-10-16-17-14(18)11-2-5-19(6-3-11)13(20)8-12-9-21-7-4-15-12/h10-12,15H,2-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone?
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone has a molecular weight of 293.37 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone is sourced from PubChem (CID 95728100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).