1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea

C20H29N3O3 — CID 118777017

IUPAC1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NC2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-2-12-25-18-6-3-5-17(14-18)22-20(24)21-16-8-10-23(11-9-16)15-19-7-4-13-26-19/h2-3,5-6,14,16,19H,1,4,7-13,15H2,(H2,21,22,24)
InChIKeyFHFJLYWZLNWHCT-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.02
Rot. Bonds7

About 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea

1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea (PubChem CID 118777017) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea
PubChem CID118777017
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NC2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C20H29N3O3/c1-2-12-25-18-6-3-5-17(14-18)22-20(24)21-16-8-10-23(11-9-16)15-19-7-4-13-26-19/h2-3,5-6,14,16,19H,1,4,7-13,15H2,(H2,21,22,24)
InChIKeyFHFJLYWZLNWHCT-UHFFFAOYSA-N
XLogP3.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 56826993
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118784099
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]urea
CID 125170217
N-[2-methyl-5-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoylamino]phenyl]propanamide
CID 74243085
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-cyclopropyl-3-(3-prop-2-enoxyphenyl)thiourea
CID 47511985
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea (CID 118777017) is 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea is C=CCOc1cccc(NC(=O)NC2CCN(CC3CCCO3)CC2)c1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea?
The InChIKey is FHFJLYWZLNWHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-12-25-18-6-3-5-17(14-18)22-20(24)21-16-8-10-23(11-9-16)15-19-7-4-13-26-19/h2-3,5-6,14,16,19H,1,4,7-13,15H2,(H2,21,22,24).
What are the key properties of 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea?
1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea has a molecular weight of 359.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea is sourced from PubChem (CID 118777017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).