2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one

C24H26N4O2 — CID 53482806

IUPAC2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one
SMILESO=C(Cc1ccccc1)N1CCC(CN2CCn3nc4ccccc4c3C2=O)CC1
InChIInChI=1S/C24H26N4O2/c29-22(16-18-6-2-1-3-7-18)26-12-10-19(11-13-26)17-27-14-15-28-23(24(27)30)20-8-4-5-9-21(20)25-28/h1-9,19H,10-17H2
InChIKeySNXHDCXEMOPBJX-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.97
Rot. Bonds4

About 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one

2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one (PubChem CID 53482806) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one
PubChem CID53482806
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one
SMILESO=C(Cc1ccccc1)N1CCC(CN2CCn3nc4ccccc4c3C2=O)CC1
InChIInChI=1S/C24H26N4O2/c29-22(16-18-6-2-1-3-7-18)26-12-10-19(11-13-26)17-27-14-15-28-23(24(27)30)20-8-4-5-9-21(20)25-28/h1-9,19H,10-17H2
InChIKeySNXHDCXEMOPBJX-UHFFFAOYSA-N
XLogP2.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one with MolForge

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Related Compounds

4-(cyclopropylmethyl)-1-(2-phenylacetyl)-1,4-diazepan-5-one
CID 29184258
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
2-amino-5,5-diphenyl-3-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]imidazol-4-one
CID 59262372
4-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556646
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126854681
2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone
CID 25071133
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one (CID 53482806) is 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one is O=C(Cc1ccccc1)N1CCC(CN2CCn3nc4ccccc4c3C2=O)CC1.
What is the InChIKey of 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one?
The InChIKey is SNXHDCXEMOPBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-22(16-18-6-2-1-3-7-18)26-12-10-19(11-13-26)17-27-14-15-28-23(24(27)30)20-8-4-5-9-21(20)25-28/h1-9,19H,10-17H2.
What are the key properties of 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one?
2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one has a molecular weight of 402.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-phenylacetyl)piperidin-4-yl]methyl]-3,4-dihydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 53482806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).