1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride

C23H35ClN4O4 — CID 171687559

IUPAC1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride
SMILESCc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)CN)CC1.Cl
InChIInChI=1S/C23H34N4O4.ClH/c1-17-5-6-18-19(15-17)31-14-4-11-26-22(30)23(7-2-3-10-25-21(18)29)8-12-27(13-9-23)20(28)16-24;/h5-6,15H,2-4,7-14,16,24H2,1H3,(H,25,29)(H,26,30);1H
InChIKeyHBQAHFYEOFYFCL-UHFFFAOYSA-N
MW467.01 g/mol
LogP1.78
Rot. Bonds1

About 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride

1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride (PubChem CID 171687559) has the molecular formula C23H35ClN4O4 and a molecular weight of 467.01 g/mol. Its IUPAC name is 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride.

Molecular Properties

Compound Name1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride
PubChem CID171687559
Molecular FormulaC23H35ClN4O4
Molecular Weight467.01 g/mol
Exact Mass466.23
IUPAC Name1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride
SMILESCc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)CN)CC1.Cl
InChIInChI=1S/C23H34N4O4.ClH/c1-17-5-6-18-19(15-17)31-14-4-11-26-22(30)23(7-2-3-10-25-21(18)29)8-12-27(13-9-23)20(28)16-24;/h5-6,15H,2-4,7-14,16,24H2,1H3,(H,25,29)(H,26,30);1H
InChIKeyHBQAHFYEOFYFCL-UHFFFAOYSA-N
XLogP1.78
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride with MolForge

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Related Compounds

1'-[(2S)-2-amino-4-phenylbutanoyl]-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione
CID 155989976
1'-[(2R)-2-amino-3-(3,4-dichlorophenyl)propanoyl]-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione
CID 155989980
1'-(2-aminoacetyl)-5-methylspiro[2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,4'-piperidine]-6,13-dione
CID 110074342
3-[(6,13-dioxospiro[2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,4'-piperidine]-1'-yl)methyl]-5-methyl-1H-indole-2-carboxylic acid
CID 110075084
1'-[[4-hydroxy-1-(4-methylphenyl)piperidin-4-yl]methyl]spiro[2-oxa-5,12-diazabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,4'-piperidine]-6,13-dione
CID 110066218
1'-[3-[6-(1-acetylpiperidin-3-yl)-2-methylpyrimidin-4-yl]propanoyl]spiro[2-oxa-6-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8,4'-piperidine]-7-one
CID 110062760
1'-(3-cyclopropyl-1-ethylpyrazole-5-carbonyl)spiro[2-oxa-6-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8,4'-piperidine]-7-one
CID 155990066
1'-[2-[3-(hydroxymethyl)phenoxy]acetyl]spiro[2-oxa-6-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8,4'-piperidine]-7-one
CID 133067557
1'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]spiro[2-oxa-6-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8,4'-piperidine]-7-one
CID 110064171
1'-[3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]propanoyl]spiro[2-oxa-6-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-8,4'-piperidine]-7-one
CID 133067103
1'-(1-methylimidazole-4-carbonyl)spiro[2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,4'-piperidine]-8,13-dione
CID 110063229
6-methyl-4-[2-oxo-2-[(5R)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97145463

Frequently Asked Questions

What is the IUPAC name of 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride?
The IUPAC name of 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride (CID 171687559) is 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride.
What is the SMILES notation for 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride?
The canonical SMILES for 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride is Cc1ccc2c(c1)OCCCNC(=O)C1(CCCCNC2=O)CCN(C(=O)CN)CC1.Cl.
What is the InChIKey of 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride?
The InChIKey is HBQAHFYEOFYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4.ClH/c1-17-5-6-18-19(15-17)31-14-4-11-26-22(30)23(7-2-3-10-25-21(18)29)8-12-27(13-9-23)20(28)16-24;/h5-6,15H,2-4,7-14,16,24H2,1H3,(H,25,29)(H,26,30);1H.
What are the key properties of 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride?
1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride has a molecular weight of 467.01 g/mol, XLogP of 1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-aminoacetyl)-18-methylspiro[2-oxa-6,13-diazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-8,4'-piperidine]-7,14-dione;hydrochloride is sourced from PubChem (CID 171687559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).