1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea

C20H33N3O2 — CID 51122734

IUPAC1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)CN1CCC(NC(=O)NCc2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C20H33N3O2/c1-15(2)14-23-10-8-18(9-11-23)22-20(24)21-13-17-6-5-7-19(12-17)25-16(3)4/h5-7,12,15-16,18H,8-11,13-14H2,1-4H3,(H2,21,22,24)
InChIKeyHJSYFOMTYQSULI-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.39
Rot. Bonds7

About 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea

1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (PubChem CID 51122734) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
PubChem CID51122734
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCC(C)CN1CCC(NC(=O)NCc2cccc(OC(C)C)c2)CC1
InChIInChI=1S/C20H33N3O2/c1-15(2)14-23-10-8-18(9-11-23)22-20(24)21-13-17-6-5-7-19(12-17)25-16(3)4/h5-7,12,15-16,18H,8-11,13-14H2,1-4H3,(H2,21,22,24)
InChIKeyHJSYFOMTYQSULI-UHFFFAOYSA-N
XLogP3.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea with MolForge

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Related Compounds

2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51128647
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
1-[[3-[(2S)-butan-2-yl]oxyphenyl]methyl]-3-cyclobutylurea
CID 125437513
1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
CID 122559038
1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 86943213
1-[(2,4-dichlorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51117380
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 48957306
1-[(3-methoxyphenyl)methyl]-3-[1-[4-(2-methylpropyl)-3-oxoquinoxalin-2-yl]piperidin-4-yl]urea
CID 50837412
ethyl 4-[[N'-methyl-N-[(3-propan-2-yloxyphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329897
1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 96990190
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (CID 51122734) is 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is CC(C)CN1CCC(NC(=O)NCc2cccc(OC(C)C)c2)CC1.
What is the InChIKey of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is HJSYFOMTYQSULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-15(2)14-23-10-8-18(9-11-23)22-20(24)21-13-17-6-5-7-19(12-17)25-16(3)4/h5-7,12,15-16,18H,8-11,13-14H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 347.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 51122734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).