2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone

C20H28N4O2 — CID 99938258

IUPAC2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
SMILESC[C@H](C1CCN(C(=O)Cn2ncc3ccccc32)CC1)N1CCOCC1
InChIInChI=1S/C20H28N4O2/c1-16(22-10-12-26-13-11-22)17-6-8-23(9-7-17)20(25)15-24-19-5-3-2-4-18(19)14-21-24/h2-5,14,16-17H,6-13,15H2,1H3/t16-/m1/s1
InChIKeyITGZHZHJKQQLJD-MRXNPFEDSA-N
MW356.47 g/mol
LogP2.00
Rot. Bonds4

About 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone

2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone (PubChem CID 99938258) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
PubChem CID99938258
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
SMILESC[C@H](C1CCN(C(=O)Cn2ncc3ccccc32)CC1)N1CCOCC1
InChIInChI=1S/C20H28N4O2/c1-16(22-10-12-26-13-11-22)17-6-8-23(9-7-17)20(25)15-24-19-5-3-2-4-18(19)14-21-24/h2-5,14,16-17H,6-13,15H2,1H3/t16-/m1/s1
InChIKeyITGZHZHJKQQLJD-MRXNPFEDSA-N
XLogP2.00
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
CID 45180211
1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 95874166
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154789058
isoquinolin-3-yl-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95861198
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
CID 129332693
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
CID 97216054
2-indazol-1-yl-1-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 86285054
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone (CID 99938258) is 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone is C[C@H](C1CCN(C(=O)Cn2ncc3ccccc32)CC1)N1CCOCC1.
What is the InChIKey of 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone?
The InChIKey is ITGZHZHJKQQLJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16(22-10-12-26-13-11-22)17-6-8-23(9-7-17)20(25)15-24-19-5-3-2-4-18(19)14-21-24/h2-5,14,16-17H,6-13,15H2,1H3/t16-/m1/s1.
What are the key properties of 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone?
2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 99938258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).