1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea

C19H31N3O2 — CID 110892388

IUPAC1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccccc1CN1CCC(C)CC1
InChIInChI=1S/C19H31N3O2/c1-3-18(14-23)21-19(24)20-12-16-6-4-5-7-17(16)13-22-10-8-15(2)9-11-22/h4-7,15,18,23H,3,8-14H2,1-2H3,(H2,20,21,24)
InChIKeyCTFKWSVVVFUNEY-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.49
Rot. Bonds7

About 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea

1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea (PubChem CID 110892388) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
PubChem CID110892388
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
SMILESCCC(CO)NC(=O)NCc1ccccc1CN1CCC(C)CC1
InChIInChI=1S/C19H31N3O2/c1-3-18(14-23)21-19(24)20-12-16-6-4-5-7-17(16)13-22-10-8-15(2)9-11-22/h4-7,15,18,23H,3,8-14H2,1-2H3,(H2,20,21,24)
InChIKeyCTFKWSVVVFUNEY-UHFFFAOYSA-N
XLogP2.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892419
1-butan-2-yl-2-methyl-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110946273
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea
CID 110896011
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 120669594
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
2-methyl-1-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915687
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea (CID 110892388) is 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea is CCC(CO)NC(=O)NCc1ccccc1CN1CCC(C)CC1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea?
The InChIKey is CTFKWSVVVFUNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-18(14-23)21-19(24)20-12-16-6-4-5-7-17(16)13-22-10-8-15(2)9-11-22/h4-7,15,18,23H,3,8-14H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea?
1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea has a molecular weight of 333.48 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 110892388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).