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

C23H34N6O4 — CID 14494490

IUPAC[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate
SMILESCCC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2nnn(CC)c2=O)CC1
InChIInChI=1S/C23H34N6O4/c1-4-20(30)29(19-10-8-7-9-11-19)23(18-33-21(31)5-2)12-14-26(15-13-23)16-17-28-22(32)27(6-3)24-25-28/h7-11H,4-6,12-18H2,1-3H3
InChIKeyDUVHMJHDBVUBNX-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.69
Rot. Bonds10

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

[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate (PubChem CID 14494490) has the molecular formula C23H34N6O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate.

Molecular Properties

Compound Name[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate
PubChem CID14494490
Molecular FormulaC23H34N6O4
Molecular Weight458.56 g/mol
Exact Mass458.26
IUPAC Name[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate
SMILESCCC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2nnn(CC)c2=O)CC1
InChIInChI=1S/C23H34N6O4/c1-4-20(30)29(19-10-8-7-9-11-19)23(18-33-21(31)5-2)12-14-26(15-13-23)16-17-28-22(32)27(6-3)24-25-28/h7-11H,4-6,12-18H2,1-3H3
InChIKeyDUVHMJHDBVUBNX-UHFFFAOYSA-N
XLogP1.69
TPSA102.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate with MolForge

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Related Compounds

Alfentanil
CID 51263
Alfentanil Hydrochloride
CID 64761
Brifentanil
CID 60672
[4-(N-butanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl butanoate
CID 14494501
[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl acetate
CID 14494492
[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl methyl carbonate
CID 14494496
[4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl acetate
CID 14494499
[4-[N-(2-methylpropanoyl)anilino]-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl 2-methylpropanoate
CID 14494503
[4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate
CID 14494505
[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

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 propanoate?
The IUPAC name of [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate (CID 14494490) is [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate.
What is the SMILES notation for [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate?
The canonical SMILES for [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate is CCC(=O)OCC1(N(C(=O)CC)c2ccccc2)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 propanoate?
The InChIKey is DUVHMJHDBVUBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4/c1-4-20(30)29(19-10-8-7-9-11-19)23(18-33-21(31)5-2)12-14-26(15-13-23)16-17-28-22(32)27(6-3)24-25-28/h7-11H,4-6,12-18H2,1-3H3.
What are the key properties of [1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate?
[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidin-4-yl]methyl propanoate has a molecular weight of 458.56 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 hydrogen bond donors, and 9 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 propanoate is sourced from PubChem (CID 14494490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).