1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea

C17H22N6O2 — CID 166254505

IUPAC1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea
SMILESCN(C)C(=O)NC1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C17H22N6O2/c1-22(2)17(25)18-13-8-10-23(11-9-13)16(24)15-14(19-21-20-15)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,18,25)(H,19,20,21)
InChIKeySSVZSSRNROIVSA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.35
Rot. Bonds3

About 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea

1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea (PubChem CID 166254505) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea
PubChem CID166254505
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea
SMILESCN(C)C(=O)NC1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C17H22N6O2/c1-22(2)17(25)18-13-8-10-23(11-9-13)16(24)15-14(19-21-20-15)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,18,25)(H,19,20,21)
InChIKeySSVZSSRNROIVSA-UHFFFAOYSA-N
XLogP1.35
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 138993124
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
methyl 4-fluoro-1-(5-phenyl-2H-triazole-4-carbonyl)piperidine-4-carboxylate
CID 166293384
[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627109
[(3S,4S)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627112
3-[1-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperidin-4-yl]-1,1-dimethylurea
CID 67090064
(4-benzhydrylpiperazin-1-yl)-[5-(4-fluorophenyl)-2H-triazol-4-yl]methanone
CID 131701861
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
[5-(3-chlorophenyl)-2H-triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 175649696
1,1-dimethyl-3-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]urea
CID 108564112
3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea
CID 146109714
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea (CID 166254505) is 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea is CN(C)C(=O)NC1CCN(C(=O)c2n[nH]nc2-c2ccccc2)CC1.
What is the InChIKey of 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea?
The InChIKey is SSVZSSRNROIVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22(2)17(25)18-13-8-10-23(11-9-13)16(24)15-14(19-21-20-15)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,18,25)(H,19,20,21).
What are the key properties of 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea?
1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea has a molecular weight of 342.40 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[1-(5-phenyl-2H-triazole-4-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 166254505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).