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

C21H30N6O4 — CID 14494507

IUPACethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
SMILESCCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2ncnn2)CC1
InChIInChI=1S/C21H30N6O4/c1-3-19(28)27(18-8-6-5-7-9-18)21(16-31-20(29)30-4-2)10-12-25(13-11-21)14-15-26-23-17-22-24-26/h5-9,17H,3-4,10-16H2,1-2H3
InChIKeyBESDARIELJHOEX-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.12
Rot. Bonds9

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

ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate (PubChem CID 14494507) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate.

Molecular Properties

Compound Nameethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
PubChem CID14494507
Molecular FormulaC21H30N6O4
Molecular Weight430.51 g/mol
Exact Mass430.23
IUPAC Nameethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
SMILESCCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2ncnn2)CC1
InChIInChI=1S/C21H30N6O4/c1-3-19(28)27(18-8-6-5-7-9-18)21(16-31-20(29)30-4-2)10-12-25(13-11-21)14-15-26-23-17-22-24-26/h5-9,17H,3-4,10-16H2,1-2H3
InChIKeyBESDARIELJHOEX-UHFFFAOYSA-N
XLogP2.12
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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 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
methyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate
CID 14494509
methyl 4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidine-4-carboxylate
CID 14879879
N-[4-(methoxymethyl)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879880
N-[4-(methoxymethyl)-1-[2-(5-morpholin-4-yltetrazol-2-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879882
N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879878
N-(2-fluorophenyl)-N-[[3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide
CID 19902280
N-(2-fluorophenyl)-N-[[(3R,4S)-3-methoxy-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methoxy]acetamide
CID 53906749

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate?
The IUPAC name of ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate (CID 14494507) is ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate.
What is the SMILES notation for ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate?
The canonical SMILES for ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate is CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2ncnn2)CC1.
What is the InChIKey of ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate?
The InChIKey is BESDARIELJHOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O4/c1-3-19(28)27(18-8-6-5-7-9-18)21(16-31-20(29)30-4-2)10-12-25(13-11-21)14-15-26-23-17-22-24-26/h5-9,17H,3-4,10-16H2,1-2H3.
What are the key properties of ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate?
ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate has a molecular weight of 430.51 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(N-propanoylanilino)-1-[2-(tetrazol-2-yl)ethyl]piperidin-4-yl]methyl carbonate is sourced from PubChem (CID 14494507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).