ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate

C16H30N2O3 — CID 115539233

IUPACethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(C)C(=O)NC(CC)CC
InChIInChI=1S/C16H30N2O3/c1-5-13(6-2)17-15(19)12(4)18-11-9-8-10-14(18)16(20)21-7-3/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyRYYNKDSVMFDEGL-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.10
Rot. Bonds7

About ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate

ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate (PubChem CID 115539233) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
PubChem CID115539233
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(C)C(=O)NC(CC)CC
InChIInChI=1S/C16H30N2O3/c1-5-13(6-2)17-15(19)12(4)18-11-9-8-10-14(18)16(20)21-7-3/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyRYYNKDSVMFDEGL-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78913541
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
CID 62028568
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
2-(2-acetylpiperidin-1-yl)-N-butan-2-ylpropanamide
CID 63844811
ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028384
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63847464
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 63853461
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate (CID 115539233) is ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(C)C(=O)NC(CC)CC.
What is the InChIKey of ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate?
The InChIKey is RYYNKDSVMFDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-13(6-2)17-15(19)12(4)18-11-9-8-10-14(18)16(20)21-7-3/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate?
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate is sourced from PubChem (CID 115539233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).