1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea

C15H23N3O — CID 41256618

IUPAC1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
SMILESCc1cccc(NC(=O)NC[C@H]2CCCN(C)C2)c1
InChIInChI=1S/C15H23N3O/c1-12-5-3-7-14(9-12)17-15(19)16-10-13-6-4-8-18(2)11-13/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyTYLVPGWQYQRUDW-CYBMUJFWSA-N
MW261.37 g/mol
LogP2.46
Rot. Bonds3

About 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea

1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea (PubChem CID 41256618) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
PubChem CID41256618
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
SMILESCc1cccc(NC(=O)NC[C@H]2CCCN(C)C2)c1
InChIInChI=1S/C15H23N3O/c1-12-5-3-7-14(9-12)17-15(19)16-10-13-6-4-8-18(2)11-13/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyTYLVPGWQYQRUDW-CYBMUJFWSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(3-methylphenyl)urea
CID 125145752
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215856
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 126767118
1-(3,5-dimethylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]thiourea
CID 17171414
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide;hydrochloride
CID 119915581

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea (CID 41256618) is 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea is Cc1cccc(NC(=O)NC[C@H]2CCCN(C)C2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea?
The InChIKey is TYLVPGWQYQRUDW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-3-7-14(9-12)17-15(19)16-10-13-6-4-8-18(2)11-13/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea?
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea has a molecular weight of 261.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea is sourced from PubChem (CID 41256618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).