1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea

C15H23N3O — CID 114700125

IUPAC1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
SMILESCc1cccc(NC(=O)NCC2CCNCC2C)c1
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-14(8-11)18-15(19)17-10-13-6-7-16-9-12(13)2/h3-5,8,12-13,16H,6-7,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyBQVPAHRLXMGTGN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds3

About 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea

1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea (PubChem CID 114700125) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
PubChem CID114700125
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea
SMILESCc1cccc(NC(=O)NCC2CCNCC2C)c1
InChIInChI=1S/C15H23N3O/c1-11-4-3-5-14(8-11)18-15(19)17-10-13-6-7-16-9-12(13)2/h3-5,8,12-13,16H,6-7,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyBQVPAHRLXMGTGN-UHFFFAOYSA-N
XLogP2.36
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[(4-methylpiperidin-3-yl)methyl]urea
CID 114955836
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
N-methyl-2-[(3-methylphenyl)carbamoylamino]-N-piperidin-4-ylacetamide;hydrochloride
CID 119444373
1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea
CID 122562368
1-(4-methylphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563054
1-[2-(cyclopropylamino)ethyl]-3-(3-methylphenyl)urea
CID 62663674
1-(3-methylphenyl)-3-[[(3R)-1-methylpiperidin-3-yl]methyl]urea
CID 41256618
1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 166259351
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
3-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114700030
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402
2-methoxy-N-[3-(piperidin-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 72858036

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea (CID 114700125) is 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea is Cc1cccc(NC(=O)NCC2CCNCC2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea?
The InChIKey is BQVPAHRLXMGTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-3-5-14(8-11)18-15(19)17-10-13-6-7-16-9-12(13)2/h3-5,8,12-13,16H,6-7,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea?
1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea has a molecular weight of 261.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[(3-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 114700125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).