butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

C14H25NO4 — CID 150128918

IUPACbutan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC(C)CC)CC1
InChIInChI=1S/C14H25NO4/c1-4-11(3)19-14(17)15-8-6-12(7-9-15)10-13(16)18-5-2/h11-12H,4-10H2,1-3H3
InChIKeyFAVAFLXWKAVUFI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds5

About butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 150128918) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID150128918
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namebutan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCOC(=O)CC1CCN(C(=O)OC(C)CC)CC1
InChIInChI=1S/C14H25NO4/c1-4-11(3)19-14(17)15-8-6-12(7-9-15)10-13(16)18-5-2/h11-12H,4-10H2,1-3H3
InChIKeyFAVAFLXWKAVUFI-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 70848391
butan-2-yl 4-methylpiperidine-1-carboxylate
CID 58345850
ethyl 2-(1-iodopiperidin-4-yl)acetate
CID 122597467
ethyl 2-[1-[(2S)-2-fluoropyrrolidine-1-carbonyl]piperidin-4-yl]acetate
CID 67406179
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
ethyl 2-[1-(2-chloroethyl)piperidin-4-yl]acetate
CID 167238016
2-[1-(4-ethoxy-4-oxobutanoyl)piperidin-4-yl]acetic acid
CID 79615731
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572
4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021590
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (CID 150128918) is butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is CCOC(=O)CC1CCN(C(=O)OC(C)CC)CC1.
What is the InChIKey of butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is FAVAFLXWKAVUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-11(3)19-14(17)15-8-6-12(7-9-15)10-13(16)18-5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 150128918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).