1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea

C19H27N5O3 — CID 24732298

IUPAC1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCOc1ccnc(N2CCC(N(Cc3ccco3)C(=O)NC(C)C)CC2)n1
InChIInChI=1S/C19H27N5O3/c1-14(2)21-19(25)24(13-16-5-4-12-27-16)15-7-10-23(11-8-15)18-20-9-6-17(22-18)26-3/h4-6,9,12,14-15H,7-8,10-11,13H2,1-3H3,(H,21,25)
InChIKeyLNPJISBJCJERGS-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.67
Rot. Bonds6

About 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea

1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 24732298) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
PubChem CID24732298
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
SMILESCOc1ccnc(N2CCC(N(Cc3ccco3)C(=O)NC(C)C)CC2)n1
InChIInChI=1S/C19H27N5O3/c1-14(2)21-19(25)24(13-16-5-4-12-27-16)15-7-10-23(11-8-15)18-20-9-6-17(22-18)26-3/h4-6,9,12,14-15H,7-8,10-11,13H2,1-3H3,(H,21,25)
InChIKeyLNPJISBJCJERGS-UHFFFAOYSA-N
XLogP2.67
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide
CID 24732456
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155975727
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
(2R)-2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 103927859
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
(2S)-1-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125147498
N-cyclohexyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-methylacetamide
CID 47528353
N-(2-methoxyethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-4-methylsulfonylbenzamide
CID 24732599

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea (CID 24732298) is 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea is COc1ccnc(N2CCC(N(Cc3ccco3)C(=O)NC(C)C)CC2)n1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is LNPJISBJCJERGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-14(2)21-19(25)24(13-16-5-4-12-27-16)15-7-10-23(11-8-15)18-20-9-6-17(22-18)26-3/h4-6,9,12,14-15H,7-8,10-11,13H2,1-3H3,(H,21,25).
What are the key properties of 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea?
1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 373.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 24732298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).