ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate

C19H23N3O5 — CID 67686896

IUPACethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate
SMILESCCOC(=O)C(OC)C1CCN(C(=O)NC(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H23N3O5/c1-3-27-18(24)16(26-2)14-8-10-22(11-9-14)19(25)21-17(23)15-6-4-13(12-20)5-7-15/h4-7,14,16H,3,8-11H2,1-2H3,(H,21,23,25)
InChIKeyCFEYGLIDZVXAJM-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.70
Rot. Bonds5

About ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate

ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate (PubChem CID 67686896) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate.

Molecular Properties

Compound Nameethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate
PubChem CID67686896
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Nameethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate
SMILESCCOC(=O)C(OC)C1CCN(C(=O)NC(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C19H23N3O5/c1-3-27-18(24)16(26-2)14-8-10-22(11-9-14)19(25)21-17(23)15-6-4-13(12-20)5-7-15/h4-7,14,16H,3,8-11H2,1-2H3,(H,21,23,25)
InChIKeyCFEYGLIDZVXAJM-UHFFFAOYSA-N
XLogP1.70
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]oxyacetate
CID 23369999
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
ethyl 4-[[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 55457022
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
methyl 2-[1-[3-[(4-cyanobenzoyl)amino]-2-cyclopropyl-3-methylbutanoyl]piperidin-4-yl]acetate
CID 54147583
methyl 2-[(4-cyanobenzoyl)amino]butanoate
CID 113252769
methyl 2-[1-[3-[(4-cyanobenzoyl)amino]-2,3-dimethylbutanoyl]piperidin-4-yl]acetate
CID 54249459
ethyl 4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 55739746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate?
The IUPAC name of ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate (CID 67686896) is ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate.
What is the SMILES notation for ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate?
The canonical SMILES for ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate is CCOC(=O)C(OC)C1CCN(C(=O)NC(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate?
The InChIKey is CFEYGLIDZVXAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-27-18(24)16(26-2)14-8-10-22(11-9-14)19(25)21-17(23)15-6-4-13(12-20)5-7-15/h4-7,14,16H,3,8-11H2,1-2H3,(H,21,23,25).
What are the key properties of ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate?
ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate has a molecular weight of 373.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(4-cyanobenzoyl)carbamoyl]piperidin-4-yl]-2-methoxyacetate is sourced from PubChem (CID 67686896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).