3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea

C19H25N3O2 — CID 119070085

IUPAC3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
SMILESCN(Cc1ccoc1)C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-21(12-17-9-11-24-15-17)19(23)20-18-8-5-10-22(14-18)13-16-6-3-2-4-7-16/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3,(H,20,23)
InChIKeyIRDHDLCHULRGFS-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.09
Rot. Bonds5

About 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea

3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea (PubChem CID 119070085) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
PubChem CID119070085
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
SMILESCN(Cc1ccoc1)C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-21(12-17-9-11-24-15-17)19(23)20-18-8-5-10-22(14-18)13-16-6-3-2-4-7-16/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3,(H,20,23)
InChIKeyIRDHDLCHULRGFS-UHFFFAOYSA-N
XLogP3.09
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 75515784
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-(1-benzylpiperidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 64590485
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
1-(furan-3-ylmethyl)-N-methylpiperidin-3-amine
CID 63208656
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
3-(1-benzylpiperidin-4-yl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 55457360
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
3-[(3R)-1-ethylpiperidin-3-yl]-1-methyl-1-[(3-methylsulfanylphenyl)methyl]urea
CID 125437298
3-[(3S)-1-ethylpiperidin-3-yl]-1-methyl-1-[(3-methylsulfanylphenyl)methyl]urea
CID 125437297

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The IUPAC name of 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea (CID 119070085) is 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea is CN(Cc1ccoc1)C(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The InChIKey is IRDHDLCHULRGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(12-17-9-11-24-15-17)19(23)20-18-8-5-10-22(14-18)13-16-6-3-2-4-7-16/h2-4,6-7,9,11,15,18H,5,8,10,12-14H2,1H3,(H,20,23).
What are the key properties of 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea has a molecular weight of 327.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-3-yl)-1-(furan-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 119070085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).