(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide

C26H25N5O2 — CID 95619276

IUPAC(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C26H25N5O2/c32-25(27-20-11-5-2-6-12-20)24(19-9-3-1-4-10-19)30-15-17-31(18-16-30)26(33)23-21-13-7-8-14-22(21)28-29-23/h1-14,24H,15-18H2,(H,27,32)(H,28,29)/t24-/m1/s1
InChIKeyMNGJYGZNVFQZOG-XMMPIXPASA-N
MW439.52 g/mol
LogP3.70
Rot. Bonds5

About (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide

(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide (PubChem CID 95619276) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide
PubChem CID95619276
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide
SMILESO=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C26H25N5O2/c32-25(27-20-11-5-2-6-12-20)24(19-9-3-1-4-10-19)30-15-17-31(18-16-30)26(33)23-21-13-7-8-14-22(21)28-29-23/h1-14,24H,15-18H2,(H,27,32)(H,28,29)/t24-/m1/s1
InChIKeyMNGJYGZNVFQZOG-XMMPIXPASA-N
XLogP3.70
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 95619270
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51133947
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 41119333
2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858444
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
(2S)-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 95295053

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide?
The IUPAC name of (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide (CID 95619276) is (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide.
What is the SMILES notation for (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide?
The canonical SMILES for (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide is O=C(Nc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide?
The InChIKey is MNGJYGZNVFQZOG-XMMPIXPASA-N. The full InChI is InChI=1S/C26H25N5O2/c32-25(27-20-11-5-2-6-12-20)24(19-9-3-1-4-10-19)30-15-17-31(18-16-30)26(33)23-21-13-7-8-14-22(21)28-29-23/h1-14,24H,15-18H2,(H,27,32)(H,28,29)/t24-/m1/s1.
What are the key properties of (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide?
(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide has a molecular weight of 439.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N,2-diphenylacetamide is sourced from PubChem (CID 95619276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).