2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

C17H21N3O3 — CID 47034520

IUPAC2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C17H21N3O3/c1-13(23-15-7-5-14(11-18)6-8-15)17(22)19-12-16(21)20-9-3-2-4-10-20/h5-8,13H,2-4,9-10,12H2,1H3,(H,19,22)
InChIKeyZKOVDCKDUUCCFQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.45
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (PubChem CID 47034520) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
PubChem CID47034520
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C17H21N3O3/c1-13(23-15-7-5-14(11-18)6-8-15)17(22)19-12-16(21)20-9-3-2-4-10-20/h5-8,13H,2-4,9-10,12H2,1H3,(H,19,22)
InChIKeyZKOVDCKDUUCCFQ-UHFFFAOYSA-N
XLogP1.45
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7984058
2-(4-tert-butylphenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 46422027
2-(4-cyanophenoxy)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 42951632
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide
CID 94625699
(2R)-2-(4-cyanophenoxy)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 94796902
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397
(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312
2-(4-cyanophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 43010252
4-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 46483655
2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
CID 51222307
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (CID 47034520) is 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is CC(Oc1ccc(C#N)cc1)C(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The InChIKey is ZKOVDCKDUUCCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(23-15-7-5-14(11-18)6-8-15)17(22)19-12-16(21)20-9-3-2-4-10-20/h5-8,13H,2-4,9-10,12H2,1H3,(H,19,22).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide has a molecular weight of 315.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 47034520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).