(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C18H28N4O3 — CID 97112786

IUPAC(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CC[C@]2(CCC1=O)CN(C(=O)c1cc[nH]c1)CCN2C
InChIInChI=1S/C18H28N4O3/c1-20-9-10-22(17(24)15-4-7-19-13-15)14-18(20)5-3-16(23)21(8-6-18)11-12-25-2/h4,7,13,19H,3,5-6,8-12,14H2,1-2H3/t18-/m1/s1
InChIKeyWWWMFFDVSCMTSD-GOSISDBHSA-N
MW348.45 g/mol
LogP0.80
Rot. Bonds4

About (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97112786) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97112786
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CC[C@]2(CCC1=O)CN(C(=O)c1cc[nH]c1)CCN2C
InChIInChI=1S/C18H28N4O3/c1-20-9-10-22(17(24)15-4-7-19-13-15)14-18(20)5-3-16(23)21(8-6-18)11-12-25-2/h4,7,13,19H,3,5-6,8-12,14H2,1-2H3/t18-/m1/s1
InChIKeyWWWMFFDVSCMTSD-GOSISDBHSA-N
XLogP0.80
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72918843
(6S)-10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146365
(6R)-4-(furan-2-carbonyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150981
N-(furan-2-ylmethyl)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70746578
(6S)-10-(2-hydroxyethyl)-1-methyl-4-(thiophene-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97127731
10-(cyclopropylmethyl)-1-methyl-4-(1H-pyrrole-2-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72845672
4-(4-fluorobutyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70777697
(6S)-4-(3-chloro-4-methylbenzoyl)-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97203698
10-ethyl-4-[5-(methoxymethyl)furan-2-carbonyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72884563
(6R)-10-ethyl-4-(5-methoxyfuran-2-carbonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152716
(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-(1H-pyrrol-3-yl)methanone
CID 131687718
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831

Frequently Asked Questions

What is the IUPAC name of (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97112786) is (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is COCCN1CC[C@]2(CCC1=O)CN(C(=O)c1cc[nH]c1)CCN2C.
What is the InChIKey of (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is WWWMFFDVSCMTSD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-20-9-10-22(17(24)15-4-7-19-13-15)14-18(20)5-3-16(23)21(8-6-18)11-12-25-2/h4,7,13,19H,3,5-6,8-12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 348.45 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97112786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).