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

C16H23N3O2 — CID 95298468

IUPAC[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
SMILESCc1ccc(CC(=O)N2CCCC[C@@H]2CNC(N)=O)cc1
InChIInChI=1S/C16H23N3O2/c1-12-5-7-13(8-6-12)10-15(20)19-9-3-2-4-14(19)11-18-16(17)21/h5-8,14H,2-4,9-11H2,1H3,(H3,17,18,21)/t14-/m1/s1
InChIKeyLEDIQRJBWQHNIA-CQSZACIVSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds4

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

[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea (PubChem CID 95298468) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
PubChem CID95298468
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
SMILESCc1ccc(CC(=O)N2CCCC[C@@H]2CNC(N)=O)cc1
InChIInChI=1S/C16H23N3O2/c1-12-5-7-13(8-6-12)10-15(20)19-9-3-2-4-14(19)11-18-16(17)21/h5-8,14H,2-4,9-11H2,1H3,(H3,17,18,21)/t14-/m1/s1
InChIKeyLEDIQRJBWQHNIA-CQSZACIVSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244
N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073346
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63395233
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 55187813
3-amino-N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120578635
2-(4-bromophenyl)-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63249383
3-amino-N-[[1-[2-(4-bromophenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578254
N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide
CID 77036177
[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
CID 98572904
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337
2-(4-methylphenyl)-N-[[4-[2-(4-methylphenyl)acetyl]thiomorpholin-3-yl]methyl]acetamide
CID 75440848
[(2R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-2-yl]methylurea
CID 95298528

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea?
The IUPAC name of [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea (CID 95298468) is [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea.
What is the SMILES notation for [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea?
The canonical SMILES for [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea is Cc1ccc(CC(=O)N2CCCC[C@@H]2CNC(N)=O)cc1.
What is the InChIKey of [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea?
The InChIKey is LEDIQRJBWQHNIA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-5-7-13(8-6-12)10-15(20)19-9-3-2-4-14(19)11-18-16(17)21/h5-8,14H,2-4,9-11H2,1H3,(H3,17,18,21)/t14-/m1/s1.
What are the key properties of [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea?
[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea has a molecular weight of 289.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea is sourced from PubChem (CID 95298468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).