[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea

C13H22N6O2 — CID 95750487

IUPAC[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea
SMILESCc1nc(C)n([C@@H]2CCCN(C(=O)CCNC(N)=O)C2)n1
InChIInChI=1S/C13H22N6O2/c1-9-16-10(2)19(17-9)11-4-3-7-18(8-11)12(20)5-6-15-13(14)21/h11H,3-8H2,1-2H3,(H3,14,15,21)/t11-/m1/s1
InChIKeyUMETWTLSOSABBF-LLVKDONJSA-N
MW294.36 g/mol
LogP0.12
Rot. Bonds4

About [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea

[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea (PubChem CID 95750487) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea
PubChem CID95750487
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea
SMILESCc1nc(C)n([C@@H]2CCCN(C(=O)CCNC(N)=O)C2)n1
InChIInChI=1S/C13H22N6O2/c1-9-16-10(2)19(17-9)11-4-3-7-18(8-11)12(20)5-6-15-13(14)21/h11H,3-8H2,1-2H3,(H3,14,15,21)/t11-/m1/s1
InChIKeyUMETWTLSOSABBF-LLVKDONJSA-N
XLogP0.12
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea with MolForge

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Related Compounds

1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95737013
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95736887
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95737051
N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95736974
1-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95736870
2-[benzyl(methyl)amino]-1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95737201
1-[3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 138993882
N-[1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide
CID 154742605
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 95737187
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737222
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95737221
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736942

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea?
The IUPAC name of [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea (CID 95750487) is [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea is Cc1nc(C)n([C@@H]2CCCN(C(=O)CCNC(N)=O)C2)n1.
What is the InChIKey of [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea?
The InChIKey is UMETWTLSOSABBF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-9-16-10(2)19(17-9)11-4-3-7-18(8-11)12(20)5-6-15-13(14)21/h11H,3-8H2,1-2H3,(H3,14,15,21)/t11-/m1/s1.
What are the key properties of [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea?
[3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea has a molecular weight of 294.36 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 95750487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).