(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone

C23H28N4O2 — CID 176504592

IUPAC(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12
InChIInChI=1S/C23H28N4O2/c28-22(19-8-4-5-12-24-19)27-13-10-23(11-14-27)20-18(9-15-29-23)16-25-21(26-20)17-6-2-1-3-7-17/h1-3,6-7,16,19,24H,4-5,8-15H2/t19-/m1/s1
InChIKeyIBXRMMBTTGODGW-LJQANCHMSA-N
MW392.50 g/mol
LogP2.68
Rot. Bonds2

About (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone

(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone (PubChem CID 176504592) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone
PubChem CID176504592
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12
InChIInChI=1S/C23H28N4O2/c28-22(19-8-4-5-12-24-19)27-13-10-23(11-14-27)20-18(9-15-29-23)16-25-21(26-20)17-6-2-1-3-7-17/h1-3,6-7,16,19,24H,4-5,8-15H2/t19-/m1/s1
InChIKeyIBXRMMBTTGODGW-LJQANCHMSA-N
XLogP2.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176503747
1,6-dimethyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176502375
1-methyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176503813
imidazo[1,2-a]pyridin-8-yl-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176503061
[(2S)-piperidin-2-yl]-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone;hydrochloride
CID 154918485
3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
CID 176503659
(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
(2-phenylmorpholin-4-yl)-piperidin-2-ylmethanone
CID 60962617
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(2R)-piperidin-2-yl]methanone
CID 119898795
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 119850197
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
(4,4-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 94899369

Frequently Asked Questions

What is the IUPAC name of (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone (CID 176504592) is (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12.
What is the InChIKey of (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone?
The InChIKey is IBXRMMBTTGODGW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(19-8-4-5-12-24-19)27-13-10-23(11-14-27)20-18(9-15-29-23)16-25-21(26-20)17-6-2-1-3-7-17/h1-3,6-7,16,19,24H,4-5,8-15H2/t19-/m1/s1.
What are the key properties of (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone?
(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone has a molecular weight of 392.50 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 176504592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).