ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate

C18H22N2O4 — CID 47005116

IUPACethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H22N2O4/c1-3-23-18(22)15-8-10-20(11-9-15)17(21)13(2)24-16-6-4-14(12-19)5-7-16/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyMJFLHPTUFDDZAL-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.13
Rot. Bonds5

About ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate

ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 47005116) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
PubChem CID47005116
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C18H22N2O4/c1-3-23-18(22)15-8-10-20(11-9-15)17(21)13(2)24-16-6-4-14(12-19)5-7-16/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyMJFLHPTUFDDZAL-UHFFFAOYSA-N
XLogP2.13
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-1-[(2S)-2-(4-cyanophenoxy)propanoyl]piperidine-3-carboxylate
CID 94014547
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
CID 17230843
4-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 46483655
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
1-[2-(4-cyanophenoxy)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51300270
4-[1-(4-but-3-ynylpiperazin-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 47079281
4-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 134020958
4-[(2S)-1-[4-[(3R)-1,1-dioxothiolane-3-carbonyl]piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 35623501
ethyl 1-[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
CID 93486703
2-[4-[(2S)-2-(4-cyanophenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 94868085

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate (CID 47005116) is ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)Oc2ccc(C#N)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is MJFLHPTUFDDZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-23-18(22)15-8-10-20(11-9-15)17(21)13(2)24-16-6-4-14(12-19)5-7-16/h4-7,13,15H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 47005116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).