N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide

C16H23F2N3O2 — CID 58054632

IUPACN-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
SMILESCC(F)(F)C[C@H](NC(=O)N1CCCC2(CC2)C1)C(=O)CCC#N
InChIInChI=1S/C16H23F2N3O2/c1-15(17,18)10-12(13(22)4-2-8-19)20-14(23)21-9-3-5-16(11-21)6-7-16/h12H,2-7,9-11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyVMNSFIJQDXJCFJ-LBPRGKRZSA-N
MW327.38 g/mol
LogP2.86
Rot. Bonds6

About N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide

N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide (PubChem CID 58054632) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
PubChem CID58054632
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC NameN-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
SMILESCC(F)(F)C[C@H](NC(=O)N1CCCC2(CC2)C1)C(=O)CCC#N
InChIInChI=1S/C16H23F2N3O2/c1-15(17,18)10-12(13(22)4-2-8-19)20-14(23)21-9-3-5-16(11-21)6-7-16/h12H,2-7,9-11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyVMNSFIJQDXJCFJ-LBPRGKRZSA-N
XLogP2.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide with MolForge

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Related Compounds

N-[1-(cyanomethylamino)-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-5-azaspiro[2.5]octane-5-carboxamide
CID 76654299
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-oxopentan-2-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 24992876
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 58054597
4,4-difluoro-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 76558764
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-1'-carboxamide
CID 58054713
N-[1-(cyanomethylamino)-5-cyclopropyl-4,4-difluoro-1-oxopentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 76654345
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxohexan-3-yl]-2,2-dimethyl-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 58054594
N-[(3S)-1-(1-cyanocyclopropyl)-5,5-difluoro-2-oxo-6-phenylhexan-3-yl]-7-methyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 58054723
2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
CID 114279424
N-[(2S)-1-[cyano(methyl)amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 87094750
N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193846

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide?
The IUPAC name of N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide (CID 58054632) is N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide.
What is the SMILES notation for N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide?
The canonical SMILES for N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide is CC(F)(F)C[C@H](NC(=O)N1CCCC2(CC2)C1)C(=O)CCC#N.
What is the InChIKey of N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide?
The InChIKey is VMNSFIJQDXJCFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c1-15(17,18)10-12(13(22)4-2-8-19)20-14(23)21-9-3-5-16(11-21)6-7-16/h12H,2-7,9-11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide?
N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyano-6,6-difluoro-3-oxoheptan-4-yl]-5-azaspiro[2.5]octane-5-carboxamide is sourced from PubChem (CID 58054632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).