1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea

C16H25N3O — CID 82733939

IUPAC1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCCC1CCCNC1CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H25N3O/c1-3-13-5-4-10-17-15(13)11-18-16(20)19-14-8-6-12(2)7-9-14/h6-9,13,15,17H,3-5,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyILEUIHZKLOBPJE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.89
Rot. Bonds4

About 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea

1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 82733939) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID82733939
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea
SMILESCCC1CCCNC1CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H25N3O/c1-3-13-5-4-10-17-15(13)11-18-16(20)19-14-8-6-12(2)7-9-14/h6-9,13,15,17H,3-5,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyILEUIHZKLOBPJE-UHFFFAOYSA-N
XLogP2.89
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-ethylpiperidin-2-yl)methyl]-3-(3-fluorophenyl)urea
CID 82734312
N-[(3-ethylpiperidin-2-yl)methyl]acetamide
CID 82734521
N-[(3-ethylpiperidin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 107014745
1-(4-methylphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563054
1-(azetidin-3-ylmethyl)-3-(4-methylphenyl)urea
CID 117235800
1-(4-hydroxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235796
N-[(3-ethylpiperidin-2-yl)methyl]pentanamide
CID 82735090
N-[(3-ethylpiperidin-2-yl)methyl]-3-methoxy-4-methylbenzamide
CID 82731476
1-(4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79043190
2-ethoxy-N-[(3-ethylpiperidin-2-yl)methyl]benzamide
CID 82732420
N-[(3-ethylpiperidin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 82732402
N-[(3-ethylpiperidin-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 82732425

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea (CID 82733939) is 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea is CCC1CCCNC1CNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is ILEUIHZKLOBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-13-5-4-10-17-15(13)11-18-16(20)19-14-8-6-12(2)7-9-14/h6-9,13,15,17H,3-5,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea?
1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 275.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpiperidin-2-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 82733939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).