2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide

C17H21N3O3 — CID 108548392

IUPAC2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
SMILESN#CCC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C17H21N3O3/c18-10-6-16(21)19-14-7-11-20(12-8-14)17(22)9-13-23-15-4-2-1-3-5-15/h1-5,14H,6-9,11-13H2,(H,19,21)
InChIKeyAQNIRGSPOYUVMI-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.48
Rot. Bonds6

About 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide

2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide (PubChem CID 108548392) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
PubChem CID108548392
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
SMILESN#CCC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C17H21N3O3/c18-10-6-16(21)19-14-7-11-20(12-8-14)17(22)9-13-23-15-4-2-1-3-5-15/h1-5,14H,6-9,11-13H2,(H,19,21)
InChIKeyAQNIRGSPOYUVMI-UHFFFAOYSA-N
XLogP1.48
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108551978
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108552751
2-chloroethyl N-[1-(3-phenoxypropanoyl)piperidin-4-yl]carbamate
CID 108565920

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide (CID 108548392) is 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide is N#CCC(=O)NC1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide?
The InChIKey is AQNIRGSPOYUVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c18-10-6-16(21)19-14-7-11-20(12-8-14)17(22)9-13-23-15-4-2-1-3-5-15/h1-5,14H,6-9,11-13H2,(H,19,21).
What are the key properties of 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide?
2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108548392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).