ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate

C21H30N2O4 — CID 110838807

IUPACethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCCCCNC(=O)c2ccccc2)C1
InChIInChI=1S/C21H30N2O4/c1-2-27-21(26)18-12-9-15-23(16-18)19(24)13-7-4-8-14-22-20(25)17-10-5-3-6-11-17/h3,5-6,10-11,18H,2,4,7-9,12-16H2,1H3,(H,22,25)
InChIKeyFURWAJXXGKOAGS-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.78
Rot. Bonds9

About ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate

ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate (PubChem CID 110838807) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
PubChem CID110838807
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Nameethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCCCCNC(=O)c2ccccc2)C1
InChIInChI=1S/C21H30N2O4/c1-2-27-21(26)18-12-9-15-23(16-18)19(24)13-7-4-8-14-22-20(25)17-10-5-3-6-11-17/h3,5-6,10-11,18H,2,4,7-9,12-16H2,1H3,(H,22,25)
InChIKeyFURWAJXXGKOAGS-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl 1-[N'-(2-benzamidoethyl)-N-ethylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993628
ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
CID 42698854
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
CID 51180748
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
CID 51163987
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate (CID 110838807) is ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCCCCNC(=O)c2ccccc2)C1.
What is the InChIKey of ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate?
The InChIKey is FURWAJXXGKOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-2-27-21(26)18-12-9-15-23(16-18)19(24)13-7-4-8-14-22-20(25)17-10-5-3-6-11-17/h3,5-6,10-11,18H,2,4,7-9,12-16H2,1H3,(H,22,25).
What are the key properties of ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate?
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 110838807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).