(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide

C17H25F2N3O2 — CID 150190687

IUPAC(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide
SMILESCC(F)(F)C[C@@H](C(=O)NC1(C#N)CC1)N1CCOC12CCCCC2
InChIInChI=1S/C17H25F2N3O2/c1-15(18,19)11-13(14(23)21-16(12-20)7-8-16)22-9-10-24-17(22)5-3-2-4-6-17/h13H,2-11H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyFNJHFVAJWHLMHX-ZDUSSCGKSA-N
MW341.40 g/mol
LogP2.57
Rot. Bonds5

About (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide

(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide (PubChem CID 150190687) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide.

Molecular Properties

Compound Name(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide
PubChem CID150190687
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC Name(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide
SMILESCC(F)(F)C[C@@H](C(=O)NC1(C#N)CC1)N1CCOC12CCCCC2
InChIInChI=1S/C17H25F2N3O2/c1-15(18,19)11-13(14(23)21-16(12-20)7-8-16)22-9-10-24-17(22)5-3-2-4-6-17/h13H,2-11H2,1H3,(H,21,23)/t13-/m0/s1
InChIKeyFNJHFVAJWHLMHX-ZDUSSCGKSA-N
XLogP2.57
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]spiro[2.3]hexane-2-carboxamide
CID 24996988
(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
CID 30172737
N-(1-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
2-[3-[[1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]carbamoyl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 76654382
N-(1-cyanocyclopropyl)-2-fluoro-3-methylbutanamide
CID 130694532
N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 86585198
N-(1-cyanocyclooctyl)-2,2-dimethylpropanamide
CID 60968681
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4,4-difluoro-1-oxopentan-2-yl]-9-propyl-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-3-carboxamide
CID 123740803

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide?
The IUPAC name of (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide (CID 150190687) is (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide.
What is the SMILES notation for (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide?
The canonical SMILES for (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide is CC(F)(F)C[C@@H](C(=O)NC1(C#N)CC1)N1CCOC12CCCCC2.
What is the InChIKey of (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide?
The InChIKey is FNJHFVAJWHLMHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-15(18,19)11-13(14(23)21-16(12-20)7-8-16)22-9-10-24-17(22)5-3-2-4-6-17/h13H,2-11H2,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide?
(2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide has a molecular weight of 341.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-cyanocyclopropyl)-4,4-difluoro-2-(1-oxa-4-azaspiro[4.5]decan-4-yl)pentanamide is sourced from PubChem (CID 150190687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).