ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate

C19H34N4O4 — CID 45206660

IUPACethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(C(=O)CCN3CCCCO3)C2)CC1
InChIInChI=1S/C19H34N4O4/c1-2-26-19(25)21-13-11-20(12-14-21)17-6-5-8-22(16-17)18(24)7-10-23-9-3-4-15-27-23/h17H,2-16H2,1H3
InChIKeyCRMCIDOHLHLCOX-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.17
Rot. Bonds5

About ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 45206660) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate
PubChem CID45206660
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Nameethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C2CCCN(C(=O)CCN3CCCCO3)C2)CC1
InChIInChI=1S/C19H34N4O4/c1-2-26-19(25)21-13-11-20(12-14-21)17-6-5-8-22(16-17)18(24)7-10-23-9-3-4-15-27-23/h17H,2-16H2,1H3
InChIKeyCRMCIDOHLHLCOX-UHFFFAOYSA-N
XLogP1.17
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-{1-[3-(2-isoxazolidinyl)propanoyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45190419
ethyl 4-[(3R)-1-(1-ethoxycarbonylpiperidin-4-yl)piperidin-3-yl]piperazine-1-carboxylate
CID 28101195
ethyl 4-[(3S)-1-(1-ethoxycarbonylpiperidin-4-yl)piperidin-3-yl]piperazine-1-carboxylate
CID 28101197
Ethyl 3-[4-(ethoxycarbonyl)-1-piperazinyl]-1,4'-bipiperidine-1'-carboxylate
CID 45216010
Ethyl 4-[acetyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122135
Ethyl 4-[acetyl-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122136
Ethyl 4-[acetyl-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122137
Ethyl 4-[acetyl-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122138

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate (CID 45206660) is ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C2CCCN(C(=O)CCN3CCCCO3)C2)CC1.
What is the InChIKey of ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is CRMCIDOHLHLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c1-2-26-19(25)21-13-11-20(12-14-21)17-6-5-8-22(16-17)18(24)7-10-23-9-3-4-15-27-23/h17H,2-16H2,1H3.
What are the key properties of ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate?
ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 382.51 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 45206660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).