1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea

C17H24ClN3O2 — CID 165119877

IUPAC1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea
SMILESCC(=O)N1CCC[C@@H](N(C)C(=O)NCc2ccc(Cl)c(C)c2)C1
InChIInChI=1S/C17H24ClN3O2/c1-12-9-14(6-7-16(12)18)10-19-17(23)20(3)15-5-4-8-21(11-15)13(2)22/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyRJVMPOBLLVOBQK-OAHLLOKOSA-N
MW337.85 g/mol
LogP2.80
Rot. Bonds3

About 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea

1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea (PubChem CID 165119877) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea
PubChem CID165119877
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea
SMILESCC(=O)N1CCC[C@@H](N(C)C(=O)NCc2ccc(Cl)c(C)c2)C1
InChIInChI=1S/C17H24ClN3O2/c1-12-9-14(6-7-16(12)18)10-19-17(23)20(3)15-5-4-8-21(11-15)13(2)22/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyRJVMPOBLLVOBQK-OAHLLOKOSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(1,3-oxazole-4-carbonyl)piperidin-3-yl]urea
CID 165119985
3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]urea
CID 165119644
3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-3-yl]urea
CID 174344318
3-[(4-chloro-3-methylphenyl)methyl]-1-methyl-1-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]urea
CID 165119795
1-[(3R)-1-(5-aminopyridazin-3-yl)piperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea
CID 165119846
3-[(4-chloro-3-methylphenyl)methyl]-1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1-methylurea
CID 165119491
1-[(3R)-1-acetylpiperidin-3-yl]-3-[(5-cyclopropyl-1H-indol-2-yl)methyl]-1-methylurea
CID 171644381
3-[(3,4-dimethylphenyl)methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174344195
3-[(4-chloro-2-fluoro-5-methylphenyl)methyl]-1-methyl-1-[(3R)-1-[(3S)-oxolane-3-carbonyl]piperidin-3-yl]urea
CID 165119588
3-[(4-chloro-3-methylphenyl)methyl]-1-(2-hydroxypropyl)-1-methylurea
CID 84599981
3-[(4-chloro-2-fluoro-5-methylphenyl)methylcarbamoyl-cyclopropylamino]-N-methylpiperidine-1-carboxamide
CID 165119686
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
CID 131998616

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea (CID 165119877) is 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea is CC(=O)N1CCC[C@@H](N(C)C(=O)NCc2ccc(Cl)c(C)c2)C1.
What is the InChIKey of 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea?
The InChIKey is RJVMPOBLLVOBQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12-9-14(6-7-16(12)18)10-19-17(23)20(3)15-5-4-8-21(11-15)13(2)22/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea?
1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea has a molecular weight of 337.85 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-acetylpiperidin-3-yl]-3-[(4-chloro-3-methylphenyl)methyl]-1-methylurea is sourced from PubChem (CID 165119877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).