ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate

C19H28N4O3 — CID 10970442

IUPACethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate
SMILESCCOC(=O)C(CC(OCC)n1nnc2ccccc21)N1CCCCC1
InChIInChI=1S/C19H28N4O3/c1-3-25-18(23-16-11-7-6-10-15(16)20-21-23)14-17(19(24)26-4-2)22-12-8-5-9-13-22/h6-7,10-11,17-18H,3-5,8-9,12-14H2,1-2H3
InChIKeyUNDZWHXLOMJMKB-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.77
Rot. Bonds8

About ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate

ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate (PubChem CID 10970442) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate
PubChem CID10970442
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nameethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate
SMILESCCOC(=O)C(CC(OCC)n1nnc2ccccc21)N1CCCCC1
InChIInChI=1S/C19H28N4O3/c1-3-25-18(23-16-11-7-6-10-15(16)20-21-23)14-17(19(24)26-4-2)22-12-8-5-9-13-22/h6-7,10-11,17-18H,3-5,8-9,12-14H2,1-2H3
InChIKeyUNDZWHXLOMJMKB-UHFFFAOYSA-N
XLogP2.77
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
1-(1-ethoxyoctyl)benzotriazole
CID 169096001
1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 3819704
1-[(1S,2S)-2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 30741863
1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
CID 3768632
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
ethyl 2-(benzotriazol-1-yl)-2-(pyridin-2-ylamino)acetate
CID 10979388
diethyl 2-(benzotriazol-1-ylmethyl)propanedioate
CID 10039908
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614
ethyl (2R)-3-(benzotriazol-1-yl)-2-cyclohexyl-3-oxopropanoate
CID 28661303
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate?
The IUPAC name of ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate (CID 10970442) is ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate.
What is the SMILES notation for ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate?
The canonical SMILES for ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate is CCOC(=O)C(CC(OCC)n1nnc2ccccc21)N1CCCCC1.
What is the InChIKey of ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate?
The InChIKey is UNDZWHXLOMJMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-3-25-18(23-16-11-7-6-10-15(16)20-21-23)14-17(19(24)26-4-2)22-12-8-5-9-13-22/h6-7,10-11,17-18H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate?
ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate has a molecular weight of 360.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate is sourced from PubChem (CID 10970442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).