1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one

C17H21N5O2 — CID 71912055

IUPAC1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C17H21N5O2/c23-16(15-13-4-1-2-5-14(13)19-20-15)21-10-6-12(7-11-21)22-9-3-8-18-17(22)24/h1-2,4-5,12H,3,6-11H2,(H,18,24)(H,19,20)
InChIKeyUIHHZSAOYUKIRJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.58
Rot. Bonds2

About 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one

1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 71912055) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID71912055
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C17H21N5O2/c23-16(15-13-4-1-2-5-14(13)19-20-15)21-10-6-12(7-11-21)22-9-3-8-18-17(22)24/h1-2,4-5,12H,3,6-11H2,(H,18,24)(H,19,20)
InChIKeyUIHHZSAOYUKIRJ-UHFFFAOYSA-N
XLogP1.58
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
7-(1H-indazole-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094890
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 91632111
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249
1H-indazol-3-yl(pyrazolidin-1-yl)methanone
CID 170858238
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1H-indazol-3-yl)methanone
CID 11715985
1H-indazol-3-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95706821

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one (CID 71912055) is 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one is O=C(c1n[nH]c2ccccc12)N1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is UIHHZSAOYUKIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-16(15-13-4-1-2-5-14(13)19-20-15)21-10-6-12(7-11-21)22-9-3-8-18-17(22)24/h1-2,4-5,12H,3,6-11H2,(H,18,24)(H,19,20).
What are the key properties of 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 327.39 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 71912055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).