N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide

C18H26F2N4O2 — CID 24993203

IUPACN-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
SMILESCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1
InChIInChI=1S/C18H26F2N4O2/c1-2-18(19,20)11-13(14(25)23-17(12-21)5-6-17)22-15(26)24-9-7-16(3-4-16)8-10-24/h13H,2-11H2,1H3,(H,22,26)(H,23,25)/t13-/m0/s1
InChIKeyVCKSCCRODCXGDH-ZDUSSCGKSA-N
MW368.43 g/mol
LogP2.55
Rot. Bonds6

About N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide

N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide (PubChem CID 24993203) has the molecular formula C18H26F2N4O2 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
PubChem CID24993203
Molecular FormulaC18H26F2N4O2
Molecular Weight368.43 g/mol
Exact Mass368.20
IUPAC NameN-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
SMILESCCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1
InChIInChI=1S/C18H26F2N4O2/c1-2-18(19,20)11-13(14(25)23-17(12-21)5-6-17)22-15(26)24-9-7-16(3-4-16)8-10-24/h13H,2-11H2,1H3,(H,22,26)(H,23,25)/t13-/m0/s1
InChIKeyVCKSCCRODCXGDH-ZDUSSCGKSA-N
XLogP2.55
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24993200
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 23624314
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 24992541
N-[(S)-1-(1-cyanocyclopropylcarbamoyl)-3,3-difluorobutyl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24992876
N-[(2S)-1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-difluoro-1-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24993201
N-[(S)-1-(1-cyanocyclopropylcarbamoyl)-3,3-difluorobutyl]-3-azaspiro[5.5]undecane-3-carboxamide
CID 24995700
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 24996667
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 24996993
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 57946184
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-cyclopropyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24992211
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-2-propyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24992212
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-2-cyclopropyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24992539

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide?
The IUPAC name of N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide (CID 24993203) is N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide?
The canonical SMILES for N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide is CCC(F)(F)C[C@H](NC(=O)N1CCC2(CC1)CC2)C(=O)NC1(C#N)CC1.
What is the InChIKey of N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide?
The InChIKey is VCKSCCRODCXGDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26F2N4O2/c1-2-18(19,20)11-13(14(25)23-17(12-21)5-6-17)22-15(26)24-9-7-16(3-4-16)8-10-24/h13H,2-11H2,1H3,(H,22,26)(H,23,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide?
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxohexan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide is sourced from PubChem (CID 24993203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).