ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate

C16H29N3O5 — CID 108864353

IUPACethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29N3O5/c1-5-23-13(20)12-6-10-19(11-7-12)14(21)17-8-9-18-15(22)24-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyMOHOTWZTYAWQGW-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.50
Rot. Bonds5

About ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate

ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate (PubChem CID 108864353) has the molecular formula C16H29N3O5 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate
PubChem CID108864353
Molecular FormulaC16H29N3O5
Molecular Weight343.42 g/mol
Exact Mass343.21
IUPAC Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29N3O5/c1-5-23-13(20)12-6-10-19(11-7-12)14(21)17-8-9-18-15(22)24-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyMOHOTWZTYAWQGW-UHFFFAOYSA-N
XLogP1.50
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[N-(tert-butoxycarbonyl)glycyl]piperidine-4-carboxylate
CID 665087
rac-1-tert-butyl 4-ethyl (3R,4R)-3-aminopiperidine-1,4-dicarboxylate
CID 137942804
Ethyl 3-(((tert-butoxy)carbonyl)amino)piperidine-4-carboxylate
CID 102548857
Methyl 1-(butylcarbamoyl)piperidine-4-carboxylate
CID 6461551
Ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
Ethyl 1-(ethylcarbamoyl)piperidine-4-carboxylate
CID 13106483
Ethyl 1-(octylcarbamoyl)piperidine-4-carboxylate
CID 18173559
1-Tert-butyl 4-ethyl 3-aminopiperidine-1,4-dicarboxylate
CID 23590626
Ethyl 1-{2-[(tert-butoxycarbonyl)amino]ethyl}-4-piperidinecarboxylate
CID 50853259
1-[(tert-Butoxy)carbonyl]-2-{[(tert-butoxy)-carbonyl]amino}piperidine-4-carboxylic acid
CID 51000247
Ethyl 1-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate
CID 52774689
O1-tert-butyl O4-ethyl (3S,4S)-3-aminopiperidine-1,4-dicarboxylate
CID 58582409

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate (CID 108864353) is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NCCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate?
The InChIKey is MOHOTWZTYAWQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O5/c1-5-23-13(20)12-6-10-19(11-7-12)14(21)17-8-9-18-15(22)24-16(2,3)4/h12H,5-11H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate has a molecular weight of 343.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 108864353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).