1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea

C16H23N3O2 — CID 71941783

IUPAC1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
SMILESCC(=O)c1cccc(NC(=O)NN2C(C)CCCC2C)c1
InChIInChI=1S/C16H23N3O2/c1-11-6-4-7-12(2)19(11)18-16(21)17-15-9-5-8-14(10-15)13(3)20/h5,8-12H,4,6-7H2,1-3H3,(H2,17,18,21)
InChIKeyFRWKFLLOTUJMTA-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.19
Rot. Bonds3

About 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea

1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea (PubChem CID 71941783) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
PubChem CID71941783
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
SMILESCC(=O)c1cccc(NC(=O)NN2C(C)CCCC2C)c1
InChIInChI=1S/C16H23N3O2/c1-11-6-4-7-12(2)19(11)18-16(21)17-15-9-5-8-14(10-15)13(3)20/h5,8-12H,4,6-7H2,1-3H3,(H2,17,18,21)
InChIKeyFRWKFLLOTUJMTA-UHFFFAOYSA-N
XLogP3.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
N-[3-[(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-C-methylcarbonimidoyl]phenyl]acetamide
CID 7812433
1-(2,6-dimethylpiperidin-1-yl)-3-(4-methoxyphenyl)urea
CID 47139552
(Z)-N-(3-acetylphenyl)-2-cyano-3-(2,6-dimethylpiperidin-1-yl)prop-2-enamide
CID 108856777
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea (CID 71941783) is 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea is CC(=O)c1cccc(NC(=O)NN2C(C)CCCC2C)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea?
The InChIKey is FRWKFLLOTUJMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-6-4-7-12(2)19(11)18-16(21)17-15-9-5-8-14(10-15)13(3)20/h5,8-12H,4,6-7H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea?
1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea has a molecular weight of 289.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea is sourced from PubChem (CID 71941783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).