N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide

C21H24N4O3 — CID 176502875

IUPACN-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC3(CC2)OCCc2cnc(C)nc23)c1
InChIInChI=1S/C21H24N4O3/c1-14-22-13-17-6-11-28-21(19(17)23-14)7-9-25(10-8-21)20(27)16-4-3-5-18(12-16)24-15(2)26/h3-5,12-13H,6-11H2,1-2H3,(H,24,26)
InChIKeyUHNRCLMFUHOPIR-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.45
Rot. Bonds2

About N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide

N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide (PubChem CID 176502875) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
PubChem CID176502875
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCC3(CC2)OCCc2cnc(C)nc23)c1
InChIInChI=1S/C21H24N4O3/c1-14-22-13-17-6-11-28-21(19(17)23-14)7-9-25(10-8-21)20(27)16-4-3-5-18(12-16)24-15(2)26/h3-5,12-13H,6-11H2,1-2H3,(H,24,26)
InChIKeyUHNRCLMFUHOPIR-UHFFFAOYSA-N
XLogP2.45
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176501193
3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone
CID 176502683
N-[3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)phenyl]-2-methylpropanamide
CID 135105564
N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide
CID 91888876
1,6-dimethyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176502375
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)butan-1-one
CID 110213856
N-[3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110365637
1-methyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176503813
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176501187
imidazo[1,2-a]pyridin-8-yl-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176503061

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide (CID 176502875) is N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCC3(CC2)OCCc2cnc(C)nc23)c1.
What is the InChIKey of N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide?
The InChIKey is UHNRCLMFUHOPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-22-13-17-6-11-28-21(19(17)23-14)7-9-25(10-8-21)20(27)16-4-3-5-18(12-16)24-15(2)26/h3-5,12-13H,6-11H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide?
N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide is sourced from PubChem (CID 176502875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).