(8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide

C24H28N6O6 — CID 154813308

IUPAC(8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide
SMILESCc1noc2c1C(=O)NC1(CCN(C(=O)c3ccccc3)CC1)CC(=O)N[C@H](C(N)=O)CC(=O)NC2
InChIInChI=1S/C24H28N6O6/c1-14-20-17(36-29-14)13-26-18(31)11-16(21(25)33)27-19(32)12-24(28-22(20)34)7-9-30(10-8-24)23(35)15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H2,25,33)(H,26,31)(H,27,32)(H,28,34)/t16-/m0/s1
InChIKeyWWSHNEDMVMSORV-INIZCTEOSA-N
MW496.52 g/mol
LogP-0.23
Rot. Bonds2

About (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide

(8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide (PubChem CID 154813308) has the molecular formula C24H28N6O6 and a molecular weight of 496.52 g/mol. Its IUPAC name is (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide.

Molecular Properties

Compound Name(8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide
PubChem CID154813308
Molecular FormulaC24H28N6O6
Molecular Weight496.52 g/mol
Exact Mass496.21
IUPAC Name(8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide
SMILESCc1noc2c1C(=O)NC1(CCN(C(=O)c3ccccc3)CC1)CC(=O)N[C@H](C(N)=O)CC(=O)NC2
InChIInChI=1S/C24H28N6O6/c1-14-20-17(36-29-14)13-26-18(31)11-16(21(25)33)27-19(32)12-24(28-22(20)34)7-9-30(10-8-24)23(35)15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H2,25,33)(H,26,31)(H,27,32)(H,28,34)/t16-/m0/s1
InChIKeyWWSHNEDMVMSORV-INIZCTEOSA-N
XLogP-0.23
TPSA176.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide with MolForge

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Related Compounds

(8S)-1'-[(3-methoxyphenyl)methyl]-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide
CID 154804753
(1S,14R)-1'-benzoyl-4-methylspiro[4,7,11,16-tetrazabicyclo[12.4.0]octadecane-8,4'-piperidine]-3,6,10-trione
CID 154813566
(3R)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92605253
(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
CID 156532889
(6S,16S)-1'-benzoyl-16-(propan-2-ylamino)spiro[2,8,12,18-tetrazatricyclo[16.2.2.02,6]docosane-9,4'-piperidine]-7,11,17-trione
CID 146116842
1'-(2-methylpyridine-3-carbonyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235901
N-(4-methylphenyl)-4-(2-oxo-1,7-diazaspiro[3.5]nonane-7-carbonyl)benzenesulfonamide
CID 51127963
8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 134795516
1'-benzoylspiro[2,4-dihydro-1,4-benzoxazepine-3,3'-pyrrolidine]-5-one
CID 134794243
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872

Frequently Asked Questions

What is the IUPAC name of (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide?
The IUPAC name of (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide (CID 154813308) is (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide.
What is the SMILES notation for (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide?
The canonical SMILES for (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide is Cc1noc2c1C(=O)NC1(CCN(C(=O)c3ccccc3)CC1)CC(=O)N[C@H](C(N)=O)CC(=O)NC2.
What is the InChIKey of (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide?
The InChIKey is WWSHNEDMVMSORV-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28N6O6/c1-14-20-17(36-29-14)13-26-18(31)11-16(21(25)33)27-19(32)12-24(28-22(20)34)7-9-30(10-8-24)23(35)15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H2,25,33)(H,26,31)(H,27,32)(H,28,34)/t16-/m0/s1.
What are the key properties of (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide?
(8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide has a molecular weight of 496.52 g/mol, XLogP of -0.23, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1'-benzoyl-16-methyl-2,6,10-trioxospiro[14-oxa-3,7,11,15-tetrazabicyclo[11.3.0]hexadeca-1(13),15-diene-4,4'-piperidine]-8-carboxamide is sourced from PubChem (CID 154813308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).