[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea

C15H21N3O2 — CID 71985156

IUPAC[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
SMILESCc1ccccc1CC(=O)N1CCC(NC(N)=O)CC1
InChIInChI=1S/C15H21N3O2/c1-11-4-2-3-5-12(11)10-14(19)18-8-6-13(7-9-18)17-15(16)20/h2-5,13H,6-10H2,1H3,(H3,16,17,20)
InChIKeyYFKSYANDCKPQKM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.20
Rot. Bonds3

About [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea

[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea (PubChem CID 71985156) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
PubChem CID71985156
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea
SMILESCc1ccccc1CC(=O)N1CCC(NC(N)=O)CC1
InChIInChI=1S/C15H21N3O2/c1-11-4-2-3-5-12(11)10-14(19)18-8-6-13(7-9-18)17-15(16)20/h2-5,13H,6-10H2,1H3,(H3,16,17,20)
InChIKeyYFKSYANDCKPQKM-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
4-chloro-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 50823468
N-cyclopropyl-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 51103973
methyl 1-[2-(2-methylphenyl)acetyl]pyrrolidine-3-carboxylate
CID 113226248
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 110822175
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 115269778
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea?
The IUPAC name of [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea (CID 71985156) is [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea is Cc1ccccc1CC(=O)N1CCC(NC(N)=O)CC1.
What is the InChIKey of [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea?
The InChIKey is YFKSYANDCKPQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-4-2-3-5-12(11)10-14(19)18-8-6-13(7-9-18)17-15(16)20/h2-5,13H,6-10H2,1H3,(H3,16,17,20).
What are the key properties of [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea?
[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea has a molecular weight of 275.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]urea is sourced from PubChem (CID 71985156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).