[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate

C23H25N3O5 — CID 7739967

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCc1ccccc1C(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C23H25N3O5/c1-15-4-2-3-5-19(15)22(29)26-12-10-17(11-13-26)23(30)31-14-20(27)25-18-8-6-16(7-9-18)21(24)28/h2-9,17H,10-14H2,1H3,(H2,24,28)(H,25,27)
InChIKeyVNOXIVHAOOAYBR-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.13
Rot. Bonds6

About [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate (PubChem CID 7739967) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
PubChem CID7739967
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
SMILESCc1ccccc1C(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C23H25N3O5/c1-15-4-2-3-5-19(15)22(29)26-12-10-17(11-13-26)23(30)31-14-20(27)25-18-8-6-16(7-9-18)21(24)28/h2-9,17H,10-14H2,1H3,(H2,24,28)(H,25,27)
InChIKeyVNOXIVHAOOAYBR-UHFFFAOYSA-N
XLogP2.13
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739854
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739818
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739812
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739823
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899072
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739805
[2-(2-methoxyphenyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739829
ethyl 1-[2-[2-(4-bromoanilino)-2-oxoethoxy]benzoyl]piperidine-4-carboxylate
CID 35512538
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739976
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 18272318
ethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 3152307

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate (CID 7739967) is [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate is Cc1ccccc1C(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
The InChIKey is VNOXIVHAOOAYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-15-4-2-3-5-19(15)22(29)26-12-10-17(11-13-26)23(30)31-14-20(27)25-18-8-6-16(7-9-18)21(24)28/h2-9,17H,10-14H2,1H3,(H2,24,28)(H,25,27).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7739967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).