1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea

C12H21N3O2 — CID 143176486

IUPAC1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCC2CC=CO2)CC1
InChIInChI=1S/C12H21N3O2/c1-15-6-4-10(5-7-15)14-12(16)13-9-11-3-2-8-17-11/h2,8,10-11H,3-7,9H2,1H3,(H2,13,14,16)
InChIKeyFRCSGQKZNBZSSG-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.68
Rot. Bonds3

About 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea

1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea (PubChem CID 143176486) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
PubChem CID143176486
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCC2CC=CO2)CC1
InChIInChI=1S/C12H21N3O2/c1-15-6-4-10(5-7-15)14-12(16)13-9-11-3-2-8-17-11/h2,8,10-11H,3-7,9H2,1H3,(H2,13,14,16)
InChIKeyFRCSGQKZNBZSSG-UHFFFAOYSA-N
XLogP0.68
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine
CID 143176493
1-(2,3-Dihydrofuran-2-yl)ethylurea
CID 153684725
1-(1-Methoxypropan-2-yl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 60267490
ethyl 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxylate
CID 62064539
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]ethanone
CID 62066929
3-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-1,1-dimethylurea
CID 83116673
4-(2-but-3-enoxyethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 103912868
4-(2-But-3-enoxyethylamino)piperidine-1-carboxamide
CID 113349207
3-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,1-dimethylurea
CID 130693357
N-but-3-en-2-yl-3-methoxypiperidine-1-carboxamide
CID 132283959
N-cyclohexyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidine-1-carboxamide
CID 154754893

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea (CID 143176486) is 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)NCC2CC=CO2)CC1.
What is the InChIKey of 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is FRCSGQKZNBZSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15-6-4-10(5-7-15)14-12(16)13-9-11-3-2-8-17-11/h2,8,10-11H,3-7,9H2,1H3,(H2,13,14,16).
What are the key properties of 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea?
1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 239.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-2-ylmethyl)-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 143176486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).