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

C18H25FN4O2 — CID 97147820

IUPAC(6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCN1CCN(C(=O)NCc2cccc(F)c2)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C18H25FN4O2/c1-22-9-10-23(13-18(22)6-5-16(24)20-8-7-18)17(25)21-12-14-3-2-4-15(19)11-14/h2-4,11H,5-10,12-13H2,1H3,(H,20,24)(H,21,25)/t18-/m0/s1
InChIKeyFSBDIIFPCZAZGN-SFHVURJKSA-N
MW348.42 g/mol
LogP1.32
Rot. Bonds2

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

(6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 97147820) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
PubChem CID97147820
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name(6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
SMILESCN1CCN(C(=O)NCc2cccc(F)c2)C[C@]12CCNC(=O)CC2
InChIInChI=1S/C18H25FN4O2/c1-22-9-10-23(13-18(22)6-5-16(24)20-8-7-18)17(25)21-12-14-3-2-4-15(19)11-14/h2-4,11H,5-10,12-13H2,1H3,(H,20,24)(H,21,25)/t18-/m0/s1
InChIKeyFSBDIIFPCZAZGN-SFHVURJKSA-N
XLogP1.32
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-1-methyl-4-(2-methylsulfanylacetyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97152352
N-cyclopentyl-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
CID 72870632
4-(3-fluoro-4-methoxybenzoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72873562
1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72923202
(4S)-8-[(3-fluorophenyl)methylcarbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97130935
2-[4-[(3-fluorophenyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 61196137
4-[[(6R)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzoic acid
CID 98788809
(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97208590
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 52581037
N-[(3-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108898628
(6R)-1-methyl-4-(3-pyridin-3-ylpropyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98788911
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The IUPAC name of (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 97147820) is (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.
What is the SMILES notation for (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The canonical SMILES for (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is CN1CCN(C(=O)NCc2cccc(F)c2)C[C@]12CCNC(=O)CC2.
What is the InChIKey of (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
The InChIKey is FSBDIIFPCZAZGN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-22-9-10-23(13-18(22)6-5-16(24)20-8-7-18)17(25)21-12-14-3-2-4-15(19)11-14/h2-4,11H,5-10,12-13H2,1H3,(H,20,24)(H,21,25)/t18-/m0/s1.
What are the key properties of (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?
(6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(3-fluorophenyl)methyl]-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 97147820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).