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

C18H24N4O4 — CID 97113240

IUPAC(6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3c(c2)OCO3)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C18H24N4O4/c1-21-8-9-22(11-18(21)5-4-16(23)19-7-6-18)17(24)20-13-2-3-14-15(10-13)26-12-25-14/h2-3,10H,4-9,11-12H2,1H3,(H,19,23)(H,20,24)/t18-/m0/s1
InChIKeyOCKUUYYMXMSWFU-SFHVURJKSA-N
MW360.41 g/mol
LogP1.23
Rot. Bonds1

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

(6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 97113240) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
PubChem CID97113240
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCN1CCN(C(=O)Nc2ccc3c(c2)OCO3)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C18H24N4O4/c1-21-8-9-22(11-18(21)5-4-16(23)19-7-6-18)17(24)20-13-2-3-14-15(10-13)26-12-25-14/h2-3,10H,4-9,11-12H2,1H3,(H,19,23)(H,20,24)/t18-/m0/s1
InChIKeyOCKUUYYMXMSWFU-SFHVURJKSA-N
XLogP1.23
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97202940
1-methyl-4-(pyridine-4-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72924847
(6S)-4-(1,6-dimethyl-2-oxopyridine-3-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153801
(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103877
N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177325
(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97191054
2-(4-acetylpiperazin-1-yl)-N-(1,3-benzodioxol-5-yl)-2-oxoacetamide
CID 108508457
1-methyl-4-[2-(2-methyl-1H-indol-3-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72930165
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536
(6S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286170
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 75461854

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of (6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 97113240) is (6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-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-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for (6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is CN1CCN(C(=O)Nc2ccc3c(c2)OCO3)C[C@]12CCNC(=O)CC2.
What is the InChIKey of (6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is OCKUUYYMXMSWFU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-21-8-9-22(11-18(21)5-4-16(23)19-7-6-18)17(24)20-13-2-3-14-15(10-13)26-12-25-14/h2-3,10H,4-9,11-12H2,1H3,(H,19,23)(H,20,24)/t18-/m0/s1.
What are the key properties of (6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
(6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 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-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 97113240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).