1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea

C20H31N3O2 — CID 110611113

IUPAC1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
SMILESO=C(NCC(Cc1ccccc1)N1CCCCC1)NC1CCOCC1
InChIInChI=1S/C20H31N3O2/c24-20(22-18-9-13-25-14-10-18)21-16-19(23-11-5-2-6-12-23)15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,21,22,24)
InChIKeyOBIOVBXWEYTUFQ-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.56
Rot. Bonds6

About 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea

1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea (PubChem CID 110611113) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
PubChem CID110611113
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
SMILESO=C(NCC(Cc1ccccc1)N1CCCCC1)NC1CCOCC1
InChIInChI=1S/C20H31N3O2/c24-20(22-18-9-13-25-14-10-18)21-16-19(23-11-5-2-6-12-23)15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,21,22,24)
InChIKeyOBIOVBXWEYTUFQ-UHFFFAOYSA-N
XLogP2.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
CID 110608624
N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
1-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(oxan-4-yl)urea
CID 110622092
1-(2-morpholin-4-yl-3-phenylpropyl)-3-propylurea
CID 110403837
benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
CID 110403830
2-cyclopropyl-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110611083
2-cyclopropyl-2-(4-fluorophenyl)-N-(2-morpholin-4-yl-3-phenylpropyl)acetamide
CID 110420949
1-[(2S)-3-(4-hydroxyphenyl)-2-pyrrolidin-1-ylpropyl]-3-(2-phenylethyl)urea;methane
CID 159423751
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
CID 110356549

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea (CID 110611113) is 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea is O=C(NCC(Cc1ccccc1)N1CCCCC1)NC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is OBIOVBXWEYTUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-20(22-18-9-13-25-14-10-18)21-16-19(23-11-5-2-6-12-23)15-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,21,22,24).
What are the key properties of 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea?
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 345.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 110611113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).