(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

C19H33N5O5 — CID 102149567

IUPAC(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
SMILESC[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C19H33N5O5/c1-10-16(26)22(7)12(3)18(28)24(9)14(5)19(29)23(8)13(4)17(27)21(6)11(2)15(25)20-10/h10-14H,1-9H3,(H,20,25)/t10-,11+,12-,13-,14-/m0/s1
InChIKeyGLPUDSJQLWATAR-NDKCEZKHSA-N
MW411.50 g/mol
LogP-1.11
Rot. Bonds

About (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone (PubChem CID 102149567) has the molecular formula C19H33N5O5 and a molecular weight of 411.50 g/mol. Its IUPAC name is (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone.

Molecular Properties

Compound Name(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
PubChem CID102149567
Molecular FormulaC19H33N5O5
Molecular Weight411.50 g/mol
Exact Mass411.25
IUPAC Name(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
SMILESC[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C19H33N5O5/c1-10-16(26)22(7)12(3)18(28)24(9)14(5)19(29)23(8)13(4)17(27)21(6)11(2)15(25)20-10/h10-14H,1-9H3,(H,20,25)/t10-,11+,12-,13-,14-/m0/s1
InChIKeyGLPUDSJQLWATAR-NDKCEZKHSA-N
XLogP-1.11
TPSA110.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone with MolForge

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Related Compounds

3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
CID 64902648
1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043309
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
3,6-dimethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970393
3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione
CID 64959112
4,13,16,17-tetramethyl-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosane-2,6,12,15,18-pentone
CID 137381329
(3S,6S,9S,12S,15R,18R,21R)-6,15-dicyclopropyl-1,3,4,10,12,13,21-heptamethyl-9,18-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
CID 126755549
1-(1,3-dimethylpyrazol-4-yl)-3,6-dimethylpiperazine-2,5-dione
CID 102807643
1-(2,6-difluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959859
1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959980
1-(5-bromo-2-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64963800
3,6-dimethyl-1-[2-(2-methylphenyl)ethyl]piperazine-2,5-dione
CID 79755635

Frequently Asked Questions

What is the IUPAC name of (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone?
The IUPAC name of (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone (CID 102149567) is (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone.
What is the SMILES notation for (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone?
The canonical SMILES for (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone is C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C1=O.
What is the InChIKey of (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone?
The InChIKey is GLPUDSJQLWATAR-NDKCEZKHSA-N. The full InChI is InChI=1S/C19H33N5O5/c1-10-16(26)22(7)12(3)18(28)24(9)14(5)19(29)23(8)13(4)17(27)21(6)11(2)15(25)20-10/h10-14H,1-9H3,(H,20,25)/t10-,11+,12-,13-,14-/m0/s1.
What are the key properties of (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone?
(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone has a molecular weight of 411.50 g/mol, XLogP of -1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone is sourced from PubChem (CID 102149567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).