1-(furan-2-ylmethyl)-3-piperidin-3-ylurea

C11H17N3O2 — CID 117235907

IUPAC1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
SMILESO=C(NCc1ccco1)NC1CCCNC1
InChIInChI=1S/C11H17N3O2/c15-11(13-8-10-4-2-6-16-10)14-9-3-1-5-12-7-9/h2,4,6,9,12H,1,3,5,7-8H2,(H2,13,14,15)
InChIKeyRMYSSWQLKGXHND-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.83
Rot. Bonds3

About 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea

1-(furan-2-ylmethyl)-3-piperidin-3-ylurea (PubChem CID 117235907) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
PubChem CID117235907
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(furan-2-ylmethyl)-3-piperidin-3-ylurea
SMILESO=C(NCc1ccco1)NC1CCCNC1
InChIInChI=1S/C11H17N3O2/c15-11(13-8-10-4-2-6-16-10)14-9-3-1-5-12-7-9/h2,4,6,9,12H,1,3,5,7-8H2,(H2,13,14,15)
InChIKeyRMYSSWQLKGXHND-UHFFFAOYSA-N
XLogP0.83
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235917
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
1-(furan-2-ylmethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235911
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
N-(furan-2-ylmethyl)-2-piperidin-3-yloxypropanamide
CID 43117610
N-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53350337
2-[azepan-4-yl(methyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 107173449
1-(furan-2-yl)-3-pyrrolidin-3-ylurea
CID 117235239
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
N-(furan-2-ylmethyl)-2-[piperidin-3-ylmethyl(propyl)amino]acetamide
CID 106640892

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea (CID 117235907) is 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea is O=C(NCc1ccco1)NC1CCCNC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea?
The InChIKey is RMYSSWQLKGXHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-11(13-8-10-4-2-6-16-10)14-9-3-1-5-12-7-9/h2,4,6,9,12H,1,3,5,7-8H2,(H2,13,14,15).
What are the key properties of 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea?
1-(furan-2-ylmethyl)-3-piperidin-3-ylurea has a molecular weight of 223.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-piperidin-3-ylurea is sourced from PubChem (CID 117235907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).