1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea

C15H25N3O2 — CID 56741397

IUPAC1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1CCCN(Cc2ccco2)C1
InChIInChI=1S/C15H25N3O2/c1-2-7-16-15(19)17-10-13-5-3-8-18(11-13)12-14-6-4-9-20-14/h4,6,9,13H,2-3,5,7-8,10-12H2,1H3,(H2,16,17,19)
InChIKeyMQXCHOOTILKFEN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.20
Rot. Bonds6

About 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea

1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea (PubChem CID 56741397) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
PubChem CID56741397
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCC1CCCN(Cc2ccco2)C1
InChIInChI=1S/C15H25N3O2/c1-2-7-16-15(19)17-10-13-5-3-8-18(11-13)12-14-6-4-9-20-14/h4,6,9,13H,2-3,5,7-8,10-12H2,1H3,(H2,16,17,19)
InChIKeyMQXCHOOTILKFEN-UHFFFAOYSA-N
XLogP2.20
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea
CID 74241621
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 95218334
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
1-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride
CID 154887421
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-3-hydroxybenzamide
CID 95226562
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine
CID 124842615
1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111355449

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea?
The IUPAC name of 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea (CID 56741397) is 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea?
The canonical SMILES for 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea is CCCNC(=O)NCC1CCCN(Cc2ccco2)C1.
What is the InChIKey of 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea?
The InChIKey is MQXCHOOTILKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-7-16-15(19)17-10-13-5-3-8-18(11-13)12-14-6-4-9-20-14/h4,6,9,13H,2-3,5,7-8,10-12H2,1H3,(H2,16,17,19).
What are the key properties of 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea?
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea has a molecular weight of 279.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea is sourced from PubChem (CID 56741397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).