N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

C27H31N5O3 — CID 26376611

IUPACN-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CCN(c3cc(C)nc(C(C)C)n3)CC1)oc1ccccc12
InChIInChI=1S/C27H31N5O3/c1-17(2)27-28-18(3)13-25(30-27)32-11-9-31(10-12-32)16-26(33)29-21-15-23-20(14-24(21)34-4)19-7-5-6-8-22(19)35-23/h5-8,13-15,17H,9-12,16H2,1-4H3,(H,29,33)
InChIKeyCKTNYHAGACDYQY-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.58
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 26376611) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID26376611
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CCN(c3cc(C)nc(C(C)C)n3)CC1)oc1ccccc12
InChIInChI=1S/C27H31N5O3/c1-17(2)27-28-18(3)13-25(30-27)32-11-9-31(10-12-32)16-26(33)29-21-15-23-20(14-24(21)34-4)19-7-5-6-8-22(19)35-23/h5-8,13-15,17H,9-12,16H2,1-4H3,(H,29,33)
InChIKeyCKTNYHAGACDYQY-UHFFFAOYSA-N
XLogP4.58
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(2-ethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 34907603
N-(2-methoxydibenzofuran-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 27207510
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 26376619
N-(2-methoxydibenzofuran-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824461
N-(2-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 27734888
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 7962349
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46402836
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
ethyl (3R)-1-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 7745268

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 26376611) is N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is COc1cc2c(cc1NC(=O)CN1CCN(c3cc(C)nc(C(C)C)n3)CC1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is CKTNYHAGACDYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-17(2)27-28-18(3)13-25(30-27)32-11-9-31(10-12-32)16-26(33)29-21-15-23-20(14-24(21)34-4)19-7-5-6-8-22(19)35-23/h5-8,13-15,17H,9-12,16H2,1-4H3,(H,29,33).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 473.58 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 26376611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).