[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate

C22H24N2O4 — CID 16611260

IUPAC[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)OCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N2O4/c25-15-18-6-8-19(9-7-18)22(27)28-16-21(26)23-20-10-12-24(13-11-20)14-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,23,26)
InChIKeyRXZSASHOBAOOJX-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.44
Rot. Bonds7

About [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate

[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate (PubChem CID 16611260) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate.

Molecular Properties

Compound Name[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate
PubChem CID16611260
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)OCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H24N2O4/c25-15-18-6-8-19(9-7-18)22(27)28-16-21(26)23-20-10-12-24(13-11-20)14-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,23,26)
InChIKeyRXZSASHOBAOOJX-UHFFFAOYSA-N
XLogP2.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 3-aminobenzoate
CID 23744527
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-(1H-imidazol-2-yl)benzoate
CID 23887792
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-(1-benzylpiperidin-4-yl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 175194789
N-(1-benzylpiperidin-4-yl)-2-[4-[3-(4-bromophenyl)-3-oxoprop-1-enyl]phenoxy]acetamide
CID 175366667
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 75490912
[2-(cyclopropylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489761
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
N-(1-benzylpiperidin-4-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164638299

Frequently Asked Questions

What is the IUPAC name of [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate?
The IUPAC name of [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate (CID 16611260) is [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate.
What is the SMILES notation for [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate?
The canonical SMILES for [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate is O=Cc1ccc(C(=O)OCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate?
The InChIKey is RXZSASHOBAOOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c25-15-18-6-8-19(9-7-18)22(27)28-16-21(26)23-20-10-12-24(13-11-20)14-17-4-2-1-3-5-17/h1-9,15,20H,10-14,16H2,(H,23,26).
What are the key properties of [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate?
[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate has a molecular weight of 380.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl] 4-formylbenzoate is sourced from PubChem (CID 16611260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).