1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea

C19H29N3O4 — CID 91916272

IUPAC1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea
SMILESCCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H29N3O4/c1-2-8-20-19(24)22(17-6-12-25-13-7-17)16-3-9-21(10-4-16)18(23)15-5-11-26-14-15/h5,11,14,16-17H,2-4,6-10,12-13H2,1H3,(H,20,24)
InChIKeyFMOZPCZJLPTWCG-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.48
Rot. Bonds5

About 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea

1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea (PubChem CID 91916272) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea.

Molecular Properties

Compound Name1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea
PubChem CID91916272
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea
SMILESCCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H29N3O4/c1-2-8-20-19(24)22(17-6-12-25-13-7-17)16-3-9-21(10-4-16)18(23)15-5-11-26-14-15/h5,11,14,16-17H,2-4,6-10,12-13H2,1H3,(H,20,24)
InChIKeyFMOZPCZJLPTWCG-UHFFFAOYSA-N
XLogP2.48
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea?
The IUPAC name of 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea (CID 91916272) is 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea.
What is the SMILES notation for 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea?
The canonical SMILES for 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea is CCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea?
The InChIKey is FMOZPCZJLPTWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-2-8-20-19(24)22(17-6-12-25-13-7-17)16-3-9-21(10-4-16)18(23)15-5-11-26-14-15/h5,11,14,16-17H,2-4,6-10,12-13H2,1H3,(H,20,24).
What are the key properties of 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea?
1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea has a molecular weight of 363.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea is sourced from PubChem (CID 91916272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).