1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C15H28N6O — CID 46992670

IUPAC1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCCn1cnc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C15H28N6O/c1-6-7-21-10-16-12(19-21)18-13(22)17-11-8-14(2,3)20-15(4,5)9-11/h10-11,20H,6-9H2,1-5H3,(H2,17,18,19,22)
InChIKeyZYPDFIGFPSLKKH-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.12
Rot. Bonds4

About 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 46992670) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID46992670
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCCn1cnc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C15H28N6O/c1-6-7-21-10-16-12(19-21)18-13(22)17-11-8-14(2,3)20-15(4,5)9-11/h10-11,20H,6-9H2,1-5H3,(H2,17,18,19,22)
InChIKeyZYPDFIGFPSLKKH-UHFFFAOYSA-N
XLogP2.12
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71933440
1-(2-Methyl-1,2,4-triazol-3-yl)-3-(3-piperidin-1-ylbutyl)urea
CID 75484662
1-(2-Tert-butyl-1,2,4-triazol-3-yl)-3-cyclopentylurea
CID 122131658
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-[(2S)-spiro[2.5]octan-2-yl]urea
CID 129347334
4-(1,2,4-triazol-1-yl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506490
N-(2-cycloheptylethyl)-N'-(1-propyl-1H-1,2,4-triazol-3-yl)urea
CID 46985216
1-[2-(2-Methylpiperidin-1-yl)propyl]-3-[3-(1,2,4-triazol-1-yl)propyl]urea
CID 71894819
N-[1-[3-(1,2,4-triazol-1-yl)propyl]piperidin-4-yl]acetamide
CID 49438511
[4-(Propan-2-ylamino)piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone
CID 172485735
N-(5-azaspiro[3.5]nonan-8-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 43595131
N-(1-azaspiro[5.5]undecan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 43595636

Frequently Asked Questions

What is the IUPAC name of 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 46992670) is 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CCCn1cnc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is ZYPDFIGFPSLKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-6-7-21-10-16-12(19-21)18-13(22)17-11-8-14(2,3)20-15(4,5)9-11/h10-11,20H,6-9H2,1-5H3,(H2,17,18,19,22).
What are the key properties of 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 308.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propyl-1,2,4-triazol-3-yl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 46992670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).