(6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

C20H27FN4O2 — CID 97112919

IUPAC(6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESC=CCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc(F)cc1)CCN2C
InChIInChI=1S/C20H27FN4O2/c1-3-11-24-12-10-20(9-8-18(24)26)15-25(14-13-23(20)2)19(27)22-17-6-4-16(21)5-7-17/h3-7H,1,8-15H2,2H3,(H,22,27)/t20-/m0/s1
InChIKeyDGMGNGNFYQOKTM-FQEVSTJZSA-N
MW374.46 g/mol
LogP2.54
Rot. Bonds3

About (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

(6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 97112919) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
PubChem CID97112919
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name(6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESC=CCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc(F)cc1)CCN2C
InChIInChI=1S/C20H27FN4O2/c1-3-11-24-12-10-20(9-8-18(24)26)15-25(14-13-23(20)2)19(27)22-17-6-4-16(21)5-7-17/h3-7H,1,8-15H2,2H3,(H,22,27)/t20-/m0/s1
InChIKeyDGMGNGNFYQOKTM-FQEVSTJZSA-N
XLogP2.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6S)-N-(3,4-difluorophenyl)-10-ethyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97191054
1-methyl-9-oxo-10-prop-2-enyl-N-(thiophen-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 70737784
(6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97130965
(6R)-1-methyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146455
(6S)-N-(1,3-benzodioxol-5-yl)-1,10-dimethyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 97202940
(6S)-1-methyl-4-(3-phenylpropyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97132773
4-(1H-imidazol-2-ylmethyl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70759071
(6R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789067
(6S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153896
10-ethyl-4-[3-(4-fluorophenyl)prop-2-enyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 91940226
(6R)-1-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789048
4-(1-ethylpiperidin-4-yl)-1-methyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70731372

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 97112919) is (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is C=CCN1CC[C@@]2(CCC1=O)CN(C(=O)Nc1ccc(F)cc1)CCN2C.
What is the InChIKey of (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is DGMGNGNFYQOKTM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-3-11-24-12-10-20(9-8-18(24)26)15-25(14-13-23(20)2)19(27)22-17-6-4-16(21)5-7-17/h3-7H,1,8-15H2,2H3,(H,22,27)/t20-/m0/s1.
What are the key properties of (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
(6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-fluorophenyl)-1-methyl-9-oxo-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 97112919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).