N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide

C22H28N4O4 — CID 110239212

IUPACN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC1CCCN(c2ncc3c(n2)CCOC3)C1
InChIInChI=1S/C22H28N4O4/c1-15-5-6-19(20(10-15)28-2)30-14-21(27)24-17-4-3-8-26(12-17)22-23-11-16-13-29-9-7-18(16)25-22/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3,(H,24,27)
InChIKeyUABWKJTYDRYGGY-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.03
Rot. Bonds6

About N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide

N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 110239212) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID110239212
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC NameN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC1CCCN(c2ncc3c(n2)CCOC3)C1
InChIInChI=1S/C22H28N4O4/c1-15-5-6-19(20(10-15)28-2)30-14-21(27)24-17-4-3-8-26(12-17)22-23-11-16-13-29-9-7-18(16)25-22/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3,(H,24,27)
InChIKeyUABWKJTYDRYGGY-UHFFFAOYSA-N
XLogP2.03
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 110239212) is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)NC1CCCN(c2ncc3c(n2)CCOC3)C1.
What is the InChIKey of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is UABWKJTYDRYGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-15-5-6-19(20(10-15)28-2)30-14-21(27)24-17-4-3-8-26(12-17)22-23-11-16-13-29-9-7-18(16)25-22/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3,(H,24,27).
What are the key properties of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 412.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 110239212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).