1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C19H31N3O — CID 108900751

IUPAC1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCc1cccc(CCNC(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C19H31N3O/c1-14-7-6-8-15(11-14)9-10-20-17(23)21-16-12-18(2,3)22-19(4,5)13-16/h6-8,11,16,22H,9-10,12-13H2,1-5H3,(H2,20,21,23)
InChIKeyBOMKAYFJZFJUBO-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.15
Rot. Bonds4

About 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 108900751) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID108900751
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCc1cccc(CCNC(=O)NC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C19H31N3O/c1-14-7-6-8-15(11-14)9-10-20-17(23)21-16-12-18(2,3)22-19(4,5)13-16/h6-8,11,16,22H,9-10,12-13H2,1-5H3,(H2,20,21,23)
InChIKeyBOMKAYFJZFJUBO-UHFFFAOYSA-N
XLogP3.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424384
1-[2-(4-methoxyphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425141
tert-butyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108900871
1-[2-(3-methylphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910466
1-[[2-(3-methylphenyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446754
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(3-methylphenyl)ethyl]urea
CID 108915633
1-[2-(3-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62314860
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 38205613
1-[2-(3-methylphenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900857
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 108900751) is 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is Cc1cccc(CCNC(=O)NC2CC(C)(C)NC(C)(C)C2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is BOMKAYFJZFJUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14-7-6-8-15(11-14)9-10-20-17(23)21-16-12-18(2,3)22-19(4,5)13-16/h6-8,11,16,22H,9-10,12-13H2,1-5H3,(H2,20,21,23).
What are the key properties of 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 317.48 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 108900751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).