1-(3-phenoxypropanoyl)piperidine-4-carbonitrile

C15H18N2O2 — CID 39359717

IUPAC1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C15H18N2O2/c16-12-13-6-9-17(10-7-13)15(18)8-11-19-14-4-2-1-3-5-14/h1-5,13H,6-11H2
InChIKeyOYYTYKPMAGNBTK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.22
Rot. Bonds4

About 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile

1-(3-phenoxypropanoyl)piperidine-4-carbonitrile (PubChem CID 39359717) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
PubChem CID39359717
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C15H18N2O2/c16-12-13-6-9-17(10-7-13)15(18)8-11-19-14-4-2-1-3-5-14/h1-5,13H,6-11H2
InChIKeyOYYTYKPMAGNBTK-UHFFFAOYSA-N
XLogP2.22
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108548392
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-phenoxypropan-1-one
CID 82688164
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119623158

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile (CID 39359717) is 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile?
The InChIKey is OYYTYKPMAGNBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-12-13-6-9-17(10-7-13)15(18)8-11-19-14-4-2-1-3-5-14/h1-5,13H,6-11H2.
What are the key properties of 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile?
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)piperidine-4-carbonitrile is sourced from PubChem (CID 39359717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).