(3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione

C19H22N4O4 — CID 170728967

IUPAC(3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
SMILESCN1C(=O)CC[C@H](N2Cc3c(ccc4c3OC[C@H]3CNCCN43)C2=O)C1=O
InChIInChI=1S/C19H22N4O4/c1-21-16(24)5-4-15(19(21)26)23-9-13-12(18(23)25)2-3-14-17(13)27-10-11-8-20-6-7-22(11)14/h2-3,11,15,20H,4-10H2,1H3/t11-,15+/m1/s1
InChIKeyNSCDLRHHMHIUKQ-ABAIWWIYSA-N
MW370.41 g/mol
LogP-0.04
Rot. Bonds1

About (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione

(3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione (PubChem CID 170728967) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
PubChem CID170728967
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
SMILESCN1C(=O)CC[C@H](N2Cc3c(ccc4c3OC[C@H]3CNCCN43)C2=O)C1=O
InChIInChI=1S/C19H22N4O4/c1-21-16(24)5-4-15(19(21)26)23-9-13-12(18(23)25)2-3-14-17(13)27-10-11-8-20-6-7-22(11)14/h2-3,11,15,20H,4-10H2,1H3/t11-,15+/m1/s1
InChIKeyNSCDLRHHMHIUKQ-ABAIWWIYSA-N
XLogP-0.04
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-(9-methyl-14-oxo-2,5,9,13-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl)piperidine-2,6-dione
CID 170727194
(3S)-3-[(7R)-5-acetyl-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione
CID 170727166
3-[5-[[7-(3-methoxyphenyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]-1-methylpiperidine-2,6-dione;(6S)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 170728936
7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 84621059
3-(7-benzylsulfanyl-3-oxo-1H-isoindol-2-yl)-1-methylpiperidine-2,6-dione
CID 164762943
(11S)-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-2-one
CID 175854871
3-[7-(but-1-en-2-ylamino)-3-oxo-1H-isoindol-2-yl]-1-methylpiperidine-2,6-dione
CID 130441968
1-methyl-3-[6-(2-methylpropyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170278341
1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 22562207
(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 27282253
3-(3'-methyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione
CID 169201293
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 18520561

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione (CID 170728967) is (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione is CN1C(=O)CC[C@H](N2Cc3c(ccc4c3OC[C@H]3CNCCN43)C2=O)C1=O.
What is the InChIKey of (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione?
The InChIKey is NSCDLRHHMHIUKQ-ABAIWWIYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-16(24)5-4-15(19(21)26)23-9-13-12(18(23)25)2-3-14-17(13)27-10-11-8-20-6-7-22(11)14/h2-3,11,15,20H,4-10H2,1H3/t11-,15+/m1/s1.
What are the key properties of (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione?
(3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione has a molecular weight of 370.41 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-[(7R)-14-oxo-9-oxa-2,5,13-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),11(15),16-trien-13-yl]piperidine-2,6-dione is sourced from PubChem (CID 170728967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).