1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

C17H21N5O3 — CID 166471945

IUPAC1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCNCC3O)cc21
InChIInChI=1S/C17H21N5O3/c1-21-13-8-10(11-4-6-18-9-14(11)23)2-3-12(13)16(20-21)22-7-5-15(24)19-17(22)25/h2-3,8,11,14,18,23H,4-7,9H2,1H3,(H,19,24,25)
InChIKeyXALNRWMEDIGMSE-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.46
Rot. Bonds2

About 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 166471945) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID166471945
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCNCC3O)cc21
InChIInChI=1S/C17H21N5O3/c1-21-13-8-10(11-4-6-18-9-14(11)23)2-3-12(13)16(20-21)22-7-5-15(24)19-17(22)25/h2-3,8,11,14,18,23H,4-7,9H2,1H3,(H,19,24,25)
InChIKeyXALNRWMEDIGMSE-UHFFFAOYSA-N
XLogP0.46
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidin-1-yl]acetic acid
CID 156505877
1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116668
methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116682
tert-butyl 4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3-fluoropiperidine-1-carboxylate
CID 156506347
2-[7-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-4-azaspiro[2.5]octan-4-yl]acetic acid
CID 156506037
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171072865
1-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 170640135
4-methylidene-1-[1-methyl-6-(1-methylpiperidin-4-yl)indazol-3-yl]-1,3-diazinan-2-one
CID 178175098
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
cyclohexanamine;1-[1-methyl-6-[1-[(3-sulfanylphenyl)methyl]piperidin-4-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 178004608
tert-butyl 4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]cyclohexyl]methyl]piperazine-1-carboxylate
CID 177160946

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (CID 166471945) is 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2ccc(C3CCNCC3O)cc21.
What is the InChIKey of 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is XALNRWMEDIGMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-13-8-10(11-4-6-18-9-14(11)23)2-3-12(13)16(20-21)22-7-5-15(24)19-17(22)25/h2-3,8,11,14,18,23H,4-7,9H2,1H3,(H,19,24,25).
What are the key properties of 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 343.39 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166471945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).