3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea

C22H26N4O2 — CID 122563843

IUPAC3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea
SMILESCN(Cc1ccc2ncccc2c1)C(=O)NC1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H26N4O2/c1-25(15-17-6-7-21-18(14-17)4-2-10-23-21)22(27)24-19-8-11-26(12-9-19)16-20-5-3-13-28-20/h2-7,10,13-14,19H,8-9,11-12,15-16H2,1H3,(H,24,27)
InChIKeyAMJFXDMMTQGMBY-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.63
Rot. Bonds5

About 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea

3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea (PubChem CID 122563843) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea.

Molecular Properties

Compound Name3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea
PubChem CID122563843
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea
SMILESCN(Cc1ccc2ncccc2c1)C(=O)NC1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H26N4O2/c1-25(15-17-6-7-21-18(14-17)4-2-10-23-21)22(27)24-19-8-11-26(12-9-19)16-20-5-3-13-28-20/h2-7,10,13-14,19H,8-9,11-12,15-16H2,1H3,(H,24,27)
InChIKeyAMJFXDMMTQGMBY-UHFFFAOYSA-N
XLogP3.63
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea with MolForge

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Related Compounds

1-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 87040459
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
1-[(4-fluorophenyl)methyl]-3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-(2-hydroxyethyl)urea
CID 122567428
3-(1-benzylpiperidin-4-yl)-1-[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 55457360
N-[3-chloro-4-[1-(furan-2-ylmethyl)piperidin-4-yl]oxyphenyl]quinoline-6-carboxamide
CID 44526599
1-methyl-1-[(3-methylsulfanylphenyl)methyl]-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 121498866
1-(furan-2-ylmethyl)-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]piperidin-4-amine
CID 125445625
3-cyclopentyl-1-[2-(furan-2-yl)ethyl]-1-methylurea
CID 110749038
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
(3R)-N-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125439338
N-cyclohexyl-2-[1-(furan-2-ylmethyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852151

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea?
The IUPAC name of 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea (CID 122563843) is 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea.
What is the SMILES notation for 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea?
The canonical SMILES for 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea is CN(Cc1ccc2ncccc2c1)C(=O)NC1CCN(Cc2ccco2)CC1.
What is the InChIKey of 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea?
The InChIKey is AMJFXDMMTQGMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25(15-17-6-7-21-18(14-17)4-2-10-23-21)22(27)24-19-8-11-26(12-9-19)16-20-5-3-13-28-20/h2-7,10,13-14,19H,8-9,11-12,15-16H2,1H3,(H,24,27).
What are the key properties of 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea?
3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea has a molecular weight of 378.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea is sourced from PubChem (CID 122563843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).