4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide

C19H23N5O3 — CID 118794972

IUPAC4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)CC(C)O4)CC2)n1
InChIInChI=1S/C19H23N5O3/c1-13-11-14-12-15(3-4-16(14)27-13)21-19(25)24-9-7-23(8-10-24)18-20-6-5-17(22-18)26-2/h3-6,12-13H,7-11H2,1-2H3,(H,21,25)
InChIKeyGVVFXWLNEXHMHB-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.16
Rot. Bonds3

About 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide

4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide (PubChem CID 118794972) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide
PubChem CID118794972
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide
SMILESCOc1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)CC(C)O4)CC2)n1
InChIInChI=1S/C19H23N5O3/c1-13-11-14-12-15(3-4-16(14)27-13)21-19(25)24-9-7-23(8-10-24)18-20-6-5-17(22-18)26-2/h3-6,12-13H,7-11H2,1-2H3,(H,21,25)
InChIKeyGVVFXWLNEXHMHB-UHFFFAOYSA-N
XLogP2.16
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-4-methylsulfonylpiperazine-1-carboxamide
CID 97445054
2,3-dihydro-1-benzofuran-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56799030
6,7-dimethoxy-N-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 125167835
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 97280953
4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 56826138
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 78892169
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 56796895
N-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126791623

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide (CID 118794972) is 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide is COc1ccnc(N2CCN(C(=O)Nc3ccc4c(c3)CC(C)O4)CC2)n1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide?
The InChIKey is GVVFXWLNEXHMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-11-14-12-15(3-4-16(14)27-13)21-19(25)24-9-7-23(8-10-24)18-20-6-5-17(22-18)26-2/h3-6,12-13H,7-11H2,1-2H3,(H,21,25).
What are the key properties of 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide?
4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)-N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 118794972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).