methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate

C19H26N6O3 — CID 14879879

IUPACmethyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ncnn2)CC1
InChIInChI=1S/C19H26N6O3/c1-3-17(26)25(16-7-5-4-6-8-16)19(18(27)28-2)9-11-23(12-10-19)13-14-24-21-15-20-22-24/h4-8,15H,3,9-14H2,1-2H3
InChIKeyDACSZQRZRCATBA-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.12
Rot. Bonds7

About methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate

methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate (PubChem CID 14879879) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate
PubChem CID14879879
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Namemethyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ncnn2)CC1
InChIInChI=1S/C19H26N6O3/c1-3-17(26)25(16-7-5-4-6-8-16)19(18(27)28-2)9-11-23(12-10-19)13-14-24-21-15-20-22-24/h4-8,15H,3,9-14H2,1-2H3
InChIKeyDACSZQRZRCATBA-UHFFFAOYSA-N
XLogP1.12
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(N-butanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl butanoate
CID 14494501
[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
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
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
methyl 1-[2-(5-oxo-4-pentyltetrazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 13676739

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate (CID 14879879) is methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate is CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2ncnn2)CC1.
What is the InChIKey of methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate?
The InChIKey is DACSZQRZRCATBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-3-17(26)25(16-7-5-4-6-8-16)19(18(27)28-2)9-11-23(12-10-19)13-14-24-21-15-20-22-24/h4-8,15H,3,9-14H2,1-2H3.
What are the key properties of methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate?
methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate has a molecular weight of 386.46 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 14879879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).