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

C15H23N3O3 — CID 90522000

IUPAC1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-6-16-15(20)17-10-12-3-7-18(8-4-12)14(19)13-5-9-21-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3,(H2,16,17,20)
InChIKeyNOIULEJHYXMTSG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds5

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

1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea (PubChem CID 90522000) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
PubChem CID90522000
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H23N3O3/c1-2-6-16-15(20)17-10-12-3-7-18(8-4-12)14(19)13-5-9-21-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3,(H2,16,17,20)
InChIKeyNOIULEJHYXMTSG-UHFFFAOYSA-N
XLogP1.84
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
1-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(oxan-4-yl)-3-propylurea
CID 91916272
2-ethoxy-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 90521882
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 71786690
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 90521933
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 90521938
4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71786750
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71960802
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521977

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea?
The IUPAC name of 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea (CID 90522000) is 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea?
The canonical SMILES for 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea is CCCNC(=O)NCC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea?
The InChIKey is NOIULEJHYXMTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-6-16-15(20)17-10-12-3-7-18(8-4-12)14(19)13-5-9-21-11-13/h5,9,11-12H,2-4,6-8,10H2,1H3,(H2,16,17,20).
What are the key properties of 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea?
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea has a molecular weight of 293.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea is sourced from PubChem (CID 90522000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).