[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate

C22H32N6O5 — CID 14494496

IUPAC[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate
SMILESCCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2nnn(CC)c2=O)CC1
InChIInChI=1S/C22H32N6O5/c1-4-19(29)28(18-9-7-6-8-10-18)22(17-33-21(31)32-3)11-13-25(14-12-22)15-16-27-20(30)26(5-2)23-24-27/h6-10H,4-5,11-17H2,1-3H3
InChIKeyALZJLPLCVLHNKW-UHFFFAOYSA-N
MW460.54 g/mol
LogP1.52
Rot. Bonds9

About [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate

[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate (PubChem CID 14494496) has the molecular formula C22H32N6O5 and a molecular weight of 460.54 g/mol. Its IUPAC name is [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate.

Molecular Properties

Compound Name[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate
PubChem CID14494496
Molecular FormulaC22H32N6O5
Molecular Weight460.54 g/mol
Exact Mass460.24
IUPAC Name[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate
SMILESCCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2nnn(CC)c2=O)CC1
InChIInChI=1S/C22H32N6O5/c1-4-19(29)28(18-9-7-6-8-10-18)22(17-33-21(31)32-3)11-13-25(14-12-22)15-16-27-20(30)26(5-2)23-24-27/h6-10H,4-5,11-17H2,1-3H3
InChIKeyALZJLPLCVLHNKW-UHFFFAOYSA-N
XLogP1.52
TPSA111.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Alfentanil
CID 51263
Alfentanil Hydrochloride
CID 64761
H4IB9ZS45N
CID 14494490
[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl acetate
CID 14494492
ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
CID 14494507
methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
CID 14494509
[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-[N-(2-methylpropanoyl)anilino]piperidin-4-yl]methyl 2-methylpropanoate
CID 44385650
6U5Kwa8tpl
CID 13676727
methyl 1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 13676729
methyl 1-[2-(5-oxo-4-propyltetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 13676731
methyl 1-[2-(5-oxo-4-propan-2-yltetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 13676733
methyl 1-[2-(4-tert-butyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 13676737

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate?
The IUPAC name of [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate (CID 14494496) is [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate.
What is the SMILES notation for [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate?
The canonical SMILES for [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate is CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2nnn(CC)c2=O)CC1.
What is the InChIKey of [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate?
The InChIKey is ALZJLPLCVLHNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O5/c1-4-19(29)28(18-9-7-6-8-10-18)22(17-33-21(31)32-3)11-13-25(14-12-22)15-16-27-20(30)26(5-2)23-24-27/h6-10H,4-5,11-17H2,1-3H3.
What are the key properties of [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate?
[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate has a molecular weight of 460.54 g/mol, XLogP of 1.52, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate is sourced from PubChem (CID 14494496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).