1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea

C14H21N3O — CID 117371572

IUPAC1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
SMILESCN(C(N)=O)c1cccc(CC2CCCNC2)c1
InChIInChI=1S/C14H21N3O/c1-17(14(15)18)13-6-2-4-11(9-13)8-12-5-3-7-16-10-12/h2,4,6,9,12,16H,3,5,7-8,10H2,1H3,(H2,15,18)
InChIKeyUPJASRYAAQEAKY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea

1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea (PubChem CID 117371572) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
PubChem CID117371572
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
SMILESCN(C(N)=O)c1cccc(CC2CCCNC2)c1
InChIInChI=1S/C14H21N3O/c1-17(14(15)18)13-6-2-4-11(9-13)8-12-5-3-7-16-10-12/h2,4,6,9,12,16H,3,5,7-8,10H2,1H3,(H2,15,18)
InChIKeyUPJASRYAAQEAKY-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-(azepan-4-ylmethyl)-N,N-dimethylaniline
CID 84696125
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one
CID 117431524
1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
CID 117342846
1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
CID 117463832
2-amino-4-(piperidin-3-ylmethyl)phenol
CID 117117980

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea?
The IUPAC name of 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea (CID 117371572) is 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea?
The canonical SMILES for 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea is CN(C(N)=O)c1cccc(CC2CCCNC2)c1.
What is the InChIKey of 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea?
The InChIKey is UPJASRYAAQEAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17(14(15)18)13-6-2-4-11(9-13)8-12-5-3-7-16-10-12/h2,4,6,9,12,16H,3,5,7-8,10H2,1H3,(H2,15,18).
What are the key properties of 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea?
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea has a molecular weight of 247.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea is sourced from PubChem (CID 117371572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).