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

C19H26F2N4O2 — CID 97191054

IUPAC(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc(F)c(F)c1)CCN2C
InChIInChI=1S/C19H26F2N4O2/c1-3-24-9-8-19(7-6-17(24)26)13-25(11-10-23(19)2)18(27)22-14-4-5-15(20)16(21)12-14/h4-5,12H,3,6-11,13H2,1-2H3,(H,22,27)/t19-/m0/s1
InChIKeyQKDKYWYVOUONGH-IBGZPJMESA-N
MW380.44 g/mol
LogP2.52
Rot. Bonds2

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

(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 97191054) has the molecular formula C19H26F2N4O2 and a molecular weight of 380.44 g/mol. Its IUPAC name is (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
PubChem CID97191054
Molecular FormulaC19H26F2N4O2
Molecular Weight380.44 g/mol
Exact Mass380.20
IUPAC Name(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc(F)c(F)c1)CCN2C
InChIInChI=1S/C19H26F2N4O2/c1-3-24-9-8-19(7-6-17(24)26)13-25(11-10-23(19)2)18(27)22-14-4-5-15(20)16(21)12-14/h4-5,12H,3,6-11,13H2,1-2H3,(H,22,27)/t19-/m0/s1
InChIKeyQKDKYWYVOUONGH-IBGZPJMESA-N
XLogP2.52
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97112919
(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97202940
(6R)-10-ethyl-1-methyl-4-(3-phenylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152905
N-(3,4-difluorophenyl)-2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 72849958
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
10-ethyl-4-[5-(methoxymethyl)furan-2-carbonyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72884563
10-ethyl-1-methyl-4-[5-(methylsulfanylmethyl)furan-2-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72854082
(6S)-10-ethyl-1-methyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97272056
N-(3-chloro-4-methylphenyl)-2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 70755232
(6S)-N-(1,3-benzodioxol-5-yl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97113240
(6S)-4-[2-(4-chlorophenoxy)ethyl]-10-ethyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97123989
N-cyclopentyl-10-(cyclopropylmethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70725318

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 97191054) is (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is CCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc(F)c(F)c1)CCN2C.
What is the InChIKey of (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is QKDKYWYVOUONGH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26F2N4O2/c1-3-24-9-8-19(7-6-17(24)26)13-25(11-10-23(19)2)18(27)22-14-4-5-15(20)16(21)12-14/h4-5,12H,3,6-11,13H2,1-2H3,(H,22,27)/t19-/m0/s1.
What are the key properties of (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 97191054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).