1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea

C16H23N3O2 — CID 108566970

IUPAC1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)N(C)C)CC1
InChIInChI=1S/C16H23N3O2/c1-12-6-4-5-7-14(12)15(20)19-10-8-13(9-11-19)17-16(21)18(2)3/h4-7,13H,8-11H2,1-3H3,(H,17,21)
InChIKeyUJNIGPZEZILFRT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.87
Rot. Bonds2

About 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea

1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea (PubChem CID 108566970) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
PubChem CID108566970
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
SMILESCc1ccccc1C(=O)N1CCC(NC(=O)N(C)C)CC1
InChIInChI=1S/C16H23N3O2/c1-12-6-4-5-7-14(12)15(20)19-10-8-13(9-11-19)17-16(21)18(2)3/h4-7,13H,8-11H2,1-3H3,(H,17,21)
InChIKeyUJNIGPZEZILFRT-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
CID 110820264
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea (CID 108566970) is 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea is Cc1ccccc1C(=O)N1CCC(NC(=O)N(C)C)CC1.
What is the InChIKey of 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea?
The InChIKey is UJNIGPZEZILFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-4-5-7-14(12)15(20)19-10-8-13(9-11-19)17-16(21)18(2)3/h4-7,13H,8-11H2,1-3H3,(H,17,21).
What are the key properties of 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea?
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea has a molecular weight of 289.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea is sourced from PubChem (CID 108566970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).