(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

C19H26N4O4 — CID 97202940

IUPAC(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc3c(c1)OCO3)CCN2C
InChIInChI=1S/C19H26N4O4/c1-21-8-7-19(6-5-17(21)24)12-23(10-9-22(19)2)18(25)20-14-3-4-15-16(11-14)27-13-26-15/h3-4,11H,5-10,12-13H2,1-2H3,(H,20,25)/t19-/m0/s1
InChIKeyMUPCHRYZGPIBDA-IBGZPJMESA-N
MW374.44 g/mol
LogP1.58
Rot. Bonds1

About (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 97202940) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
PubChem CID97202940
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc3c(c1)OCO3)CCN2C
InChIInChI=1S/C19H26N4O4/c1-21-8-7-19(6-5-17(21)24)12-23(10-9-22(19)2)18(25)20-14-3-4-15-16(11-14)27-13-26-15/h3-4,11H,5-10,12-13H2,1-2H3,(H,20,25)/t19-/m0/s1
InChIKeyMUPCHRYZGPIBDA-IBGZPJMESA-N
XLogP1.58
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97113240
(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97191054
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177325
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103877
(3R,4R)-N-(1,3-benzodioxol-5-yl)-3-fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 131923741
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536
4-(5-chloropyridine-3-carbonyl)-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72890290
2-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 108508457
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71845719
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50947655

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 97202940) is (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is CN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc3c(c1)OCO3)CCN2C.
What is the InChIKey of (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is MUPCHRYZGPIBDA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21-8-7-19(6-5-17(21)24)12-23(10-9-22(19)2)18(25)20-14-3-4-15-16(11-14)27-13-26-15/h3-4,11H,5-10,12-13H2,1-2H3,(H,20,25)/t19-/m0/s1.
What are the key properties of (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 97202940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).