1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one

C23H23N5O2 — CID 135120450

IUPAC1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C23H23N5O2/c29-19(15-27-13-5-11-24-22(27)30)28-12-4-9-23(16-28)10-8-18-14-25-21(26-20(18)23)17-6-2-1-3-7-17/h1-3,5-7,11,13-14H,4,8-10,12,15-16H2
InChIKeyPFIQMSFXJOQBNF-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one

1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one (PubChem CID 135120450) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one
PubChem CID135120450
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1
InChIInChI=1S/C23H23N5O2/c29-19(15-27-13-5-11-24-22(27)30)28-12-4-9-23(16-28)10-8-18-14-25-21(26-20(18)23)17-6-2-1-3-7-17/h1-3,5-7,11,13-14H,4,8-10,12,15-16H2
InChIKeyPFIQMSFXJOQBNF-UHFFFAOYSA-N
XLogP2.21
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
CID 135091787
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 135116264
N,N-dimethyl-4-oxo-4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)butanamide
CID 163317731
N-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]methanesulfonamide
CID 135106933
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
4-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 163314669
2-amino-2-methyl-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one
CID 135098790
2-indol-1-yl-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethanone
CID 163309039
(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,3-thiazol-5-yl)methanone
CID 163318918
1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
(4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135097209
[2-(aminomethyl)-1,3-oxazol-4-yl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135105379

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one (CID 135120450) is 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1.
What is the InChIKey of 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one?
The InChIKey is PFIQMSFXJOQBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-19(15-27-13-5-11-24-22(27)30)28-12-4-9-23(16-28)10-8-18-14-25-21(26-20(18)23)17-6-2-1-3-7-17/h1-3,5-7,11,13-14H,4,8-10,12,15-16H2.
What are the key properties of 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one?
1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one has a molecular weight of 401.47 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one is sourced from PubChem (CID 135120450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).