[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate

C21H22N2O5 — CID 7838121

IUPAC[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
SMILESNC(=O)C1CCN(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H22N2O5/c22-20(25)15-10-12-23(13-11-15)19(24)14-27-21(26)16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,22,25)
InChIKeyMJDCNLANGHLBJT-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.36
Rot. Bonds6

About [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate (PubChem CID 7838121) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate.

Molecular Properties

Compound Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
PubChem CID7838121
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate
SMILESNC(=O)C1CCN(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H22N2O5/c22-20(25)15-10-12-23(13-11-15)19(24)14-27-21(26)16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,22,25)
InChIKeyMJDCNLANGHLBJT-UHFFFAOYSA-N
XLogP2.36
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
CID 9009258
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 8012097
[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl] benzoate
CID 14033062
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 23909728
1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2928967
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55569344
1-[(4-phenoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 1314895
1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 44902818
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate?
The IUPAC name of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate (CID 7838121) is [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate.
What is the SMILES notation for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate?
The canonical SMILES for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate is NC(=O)C1CCN(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate?
The InChIKey is MJDCNLANGHLBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c22-20(25)15-10-12-23(13-11-15)19(24)14-27-21(26)16-6-8-18(9-7-16)28-17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,22,25).
What are the key properties of [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate?
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate has a molecular weight of 382.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-phenoxybenzoate is sourced from PubChem (CID 7838121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).