benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate

C18H26N2O5 — CID 108562757

IUPACbenzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCOCCOCC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O5/c1-23-11-12-24-14-17(21)19-16-7-9-20(10-8-16)18(22)25-13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,21)
InChIKeyWGQRTCBUDUYYOM-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.57
Rot. Bonds8

About benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate

benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate (PubChem CID 108562757) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
PubChem CID108562757
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namebenzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
SMILESCOCCOCC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O5/c1-23-11-12-24-14-17(21)19-16-7-9-20(10-8-16)18(22)25-13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,21)
InChIKeyWGQRTCBUDUYYOM-UHFFFAOYSA-N
XLogP1.57
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
benzyl 4-[[4-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate;hydrochloride
CID 165436550
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate
CID 67159227
N-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557704
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557702
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate (CID 108562757) is benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate is COCCOCC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is WGQRTCBUDUYYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-23-11-12-24-14-17(21)19-16-7-9-20(10-8-16)18(22)25-13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,21).
What are the key properties of benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate?
benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108562757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).