1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea

C19H31N3O — CID 129418976

IUPAC1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(C)c1
InChIInChI=1S/C19H31N3O/c1-13-10-14(2)18(15(3)11-13)21-19(23)20-12-17(5)22-9-7-6-8-16(22)4/h10-11,16-17H,6-9,12H2,1-5H3,(H2,20,21,23)/t16-,17-/m1/s1
InChIKeyMMNODLYVTWRJBH-IAGOWNOFSA-N
MW317.48 g/mol
LogP4.00
Rot. Bonds4

About 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea

1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 129418976) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID129418976
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(C)c1
InChIInChI=1S/C19H31N3O/c1-13-10-14(2)18(15(3)11-13)21-19(23)20-12-17(5)22-9-7-6-8-16(22)4/h10-11,16-17H,6-9,12H2,1-5H3,(H2,20,21,23)/t16-,17-/m1/s1
InChIKeyMMNODLYVTWRJBH-IAGOWNOFSA-N
XLogP4.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-[2-(2-methylpiperidin-1-yl)propyl]urea
CID 51080593
1-(2-chlorophenyl)-3-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]urea
CID 129368276
1-(2,6-dimethylphenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076889
1-(2,5-dimethylphenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076890
1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047885
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108888511
1-(2,4-difluorophenyl)-3-[(2R)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiourea
CID 98682579
1-(3,4-dichlorophenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076905
1-(4-fluorophenyl)-3-[2-(2-methylpiperidin-1-yl)propyl]thiourea
CID 43076912
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583041
2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 66167337
3,5-dimethyl-2-(2-methylpropylcarbamoylamino)benzoic acid
CID 63112624

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea (CID 129418976) is 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)c(C)c1.
What is the InChIKey of 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is MMNODLYVTWRJBH-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H31N3O/c1-13-10-14(2)18(15(3)11-13)21-19(23)20-12-17(5)22-9-7-6-8-16(22)4/h10-11,16-17H,6-9,12H2,1-5H3,(H2,20,21,23)/t16-,17-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea?
1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 317.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 129418976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).