1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea

C17H25N3O2 — CID 60572820

IUPAC1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
SMILESO=C(NCC1CCCO1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c21-17(18-13-16-8-5-11-22-16)19-14-6-4-7-15(12-14)20-9-2-1-3-10-20/h4,6-7,12,16H,1-3,5,8-11,13H2,(H2,18,19,21)
InChIKeyZQIRMPCLMDOPGP-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.98
Rot. Bonds4

About 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea

1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea (PubChem CID 60572820) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
PubChem CID60572820
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea
SMILESO=C(NCC1CCCO1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C17H25N3O2/c21-17(18-13-16-8-5-11-22-16)19-14-6-4-7-15(12-14)20-9-2-1-3-10-20/h4,6-7,12,16H,1-3,5,8-11,13H2,(H2,18,19,21)
InChIKeyZQIRMPCLMDOPGP-UHFFFAOYSA-N
XLogP2.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94686442
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94167086
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
3-[3-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340590
1-(oxolan-2-ylmethyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 20974342
1-[3-(difluoromethylsulfonyl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95185510
2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 61191613
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
1-[3-(2-aminopyrimidin-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 70921160
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 27474064
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea (CID 60572820) is 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea is O=C(NCC1CCCO1)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea?
The InChIKey is ZQIRMPCLMDOPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(18-13-16-8-5-11-22-16)19-14-6-4-7-15(12-14)20-9-2-1-3-10-20/h4,6-7,12,16H,1-3,5,8-11,13H2,(H2,18,19,21).
What are the key properties of 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea?
1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea has a molecular weight of 303.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-(3-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 60572820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).