(2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide

C15H17N3O3 — CID 94818111

IUPAC(2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C15H17N3O3/c1-10(21-12-6-4-11(9-16)5-7-12)14(19)18-13-3-2-8-17-15(13)20/h4-7,10,13H,2-3,8H2,1H3,(H,17,20)(H,18,19)/t10-,13+/m0/s1
InChIKeyFATVQRVJIHLQAN-GXFFZTMASA-N
MW287.32 g/mol
LogP0.72
Rot. Bonds4

About (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide

(2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide (PubChem CID 94818111) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide
PubChem CID94818111
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCNC1=O
InChIInChI=1S/C15H17N3O3/c1-10(21-12-6-4-11(9-16)5-7-12)14(19)18-13-3-2-8-17-15(13)20/h4-7,10,13H,2-3,8H2,1H3,(H,17,20)(H,18,19)/t10-,13+/m0/s1
InChIKeyFATVQRVJIHLQAN-GXFFZTMASA-N
XLogP0.72
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 94818114
2-(4-cyanophenoxy)-N-[1-(cyclopentylmethyl)piperidin-4-yl]propanamide
CID 47083560
2-[4-(4-cyanophenyl)phenoxy]-N-propan-2-ylpropanamide
CID 51183672
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983930
(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 94363922
2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 110896882
N-[1-(1-adamantyl)ethyl]-2-(4-cyanophenoxy)propanamide
CID 55329308
(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 94646376
1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8768879
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 94796902
4-[(2R)-3-oxobutan-2-yl]oxybenzonitrile
CID 6933766

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide (CID 94818111) is (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCNC1=O.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide?
The InChIKey is FATVQRVJIHLQAN-GXFFZTMASA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(21-12-6-4-11(9-16)5-7-12)14(19)18-13-3-2-8-17-15(13)20/h4-7,10,13H,2-3,8H2,1H3,(H,17,20)(H,18,19)/t10-,13+/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide?
(2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide has a molecular weight of 287.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-[(3R)-2-oxopiperidin-3-yl]propanamide is sourced from PubChem (CID 94818111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).