ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate

C19H28N6O3 — CID 3702393

IUPACethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2nnnc2CNC(C)c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H28N6O3/c1-4-28-19(26)24-11-9-16(10-12-24)25-18(21-22-23-25)13-20-14(2)15-5-7-17(27-3)8-6-15/h5-8,14,16,20H,4,9-13H2,1-3H3
InChIKeyRFFDILGZGCHBCS-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.33
Rot. Bonds7

About ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate

ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate (PubChem CID 3702393) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate
PubChem CID3702393
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Nameethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(n2nnnc2CNC(C)c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H28N6O3/c1-4-28-19(26)24-11-9-16(10-12-24)25-18(21-22-23-25)13-20-14(2)15-5-7-17(27-3)8-6-15/h5-8,14,16,20H,4,9-13H2,1-3H3
InChIKeyRFFDILGZGCHBCS-UHFFFAOYSA-N
XLogP2.33
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-[5-[[2-(2,3-dimethoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 3417660
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 30295515
methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate
CID 62109806
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-[5-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]quinolin-7-yl)oxy]butyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 14981443
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-[[1-(3,4-dimethyl-1,2-oxazol-5-yl)tetrazol-5-yl]methyl]-1-(4-methoxyphenyl)ethanamine
CID 3874653
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
CID 43766193
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 42884380
ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112860217

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate (CID 3702393) is ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(n2nnnc2CNC(C)c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is RFFDILGZGCHBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-4-28-19(26)24-11-9-16(10-12-24)25-18(21-22-23-25)13-20-14(2)15-5-7-17(27-3)8-6-15/h5-8,14,16,20H,4,9-13H2,1-3H3.
What are the key properties of ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate?
ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 3702393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).