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

C20H28N6O4 — CID 14494509

IUPACmethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
SMILESCCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2ncnn2)CC1
InChIInChI=1S/C20H28N6O4/c1-3-18(27)26(17-7-5-4-6-8-17)20(15-30-19(28)29-2)9-11-24(12-10-20)13-14-25-22-16-21-23-25/h4-8,16H,3,9-15H2,1-2H3
InChIKeyWUXVWUVKJGVDGP-UHFFFAOYSA-N
MW416.48 g/mol
LogP1.73
Rot. Bonds8

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

methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate (PubChem CID 14494509) has the molecular formula C20H28N6O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate.

Molecular Properties

Compound Namemethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
PubChem CID14494509
Molecular FormulaC20H28N6O4
Molecular Weight416.48 g/mol
Exact Mass416.22
IUPAC Namemethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
SMILESCCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2ncnn2)CC1
InChIInChI=1S/C20H28N6O4/c1-3-18(27)26(17-7-5-4-6-8-17)20(15-30-19(28)29-2)9-11-24(12-10-20)13-14-25-22-16-21-23-25/h4-8,16H,3,9-15H2,1-2H3
InChIKeyWUXVWUVKJGVDGP-UHFFFAOYSA-N
XLogP1.73
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate?
The IUPAC name of methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate (CID 14494509) is methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate.
What is the SMILES notation for methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate?
The canonical SMILES for methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate is CCC(=O)N(c1ccccc1)C1(COC(=O)OC)CCN(CCn2ncnn2)CC1.
What is the InChIKey of methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate?
The InChIKey is WUXVWUVKJGVDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O4/c1-3-18(27)26(17-7-5-4-6-8-17)20(15-30-19(28)29-2)9-11-24(12-10-20)13-14-25-22-16-21-23-25/h4-8,16H,3,9-15H2,1-2H3.
What are the key properties of methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate?
methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate has a molecular weight of 416.48 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate is sourced from PubChem (CID 14494509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).