[4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

C61H94Cl4N18O8 — CID 157283573

IUPAC[4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCOc2nnnn2CC)CC1.CCCC(=O)Cl.CCn1nnnc1OCCN1CCC(CO)(Nc2ccccc2)CC1.CCn1nnnc1OCCN1CCC(COC)(Nc2ccccc2)CC1.ClC(Cl)Cl
InChIInChI=1S/C21H32N6O3.C18H28N6O2.C17H26N6O2.C4H7ClO.CHCl3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-29-3)11-13-25(14-12-21)15-16-30-20-22-23-24-26(20)5-2;1-3-24-17(20-21-22-24)26-14-13-23-11-9-18(10-12-23,15-25-2)19-16-7-5-4-6-8-16;1-2-23-16(19-20-21-23)25-13-12-22-10-8-17(14-24,9-11-22)18-15-6-4-3-5-7-15;1-2-3-4(5)6;2-1(3)4/h6-10H,4-5,11-17H2,1-3H3;4-8,19H,3,9-15H2,1-2H3;3-7,18,24H,2,8-14H2,1H3;2-3H2,1H3;1H
InChIKeyAZYPGYLXKYBZTK-UHFFFAOYSA-N
MW1349.35 g/mol
LogP8.21
Rot. Bonds29

About [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

[4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 157283573) has the molecular formula C61H94Cl4N18O8 and a molecular weight of 1349.35 g/mol. Its IUPAC name is [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name[4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID157283573
Molecular FormulaC61H94Cl4N18O8
Molecular Weight1349.35 g/mol
Exact Mass1346.63
IUPAC Name[4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CCOc2nnnn2CC)CC1.CCCC(=O)Cl.CCn1nnnc1OCCN1CCC(CO)(Nc2ccccc2)CC1.CCn1nnnc1OCCN1CCC(COC)(Nc2ccccc2)CC1.ClC(Cl)Cl
InChIInChI=1S/C21H32N6O3.C18H28N6O2.C17H26N6O2.C4H7ClO.CHCl3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-29-3)11-13-25(14-12-21)15-16-30-20-22-23-24-26(20)5-2;1-3-24-17(20-21-22-24)26-14-13-23-11-9-18(10-12-23,15-25-2)19-16-7-5-4-6-8-16;1-2-23-16(19-20-21-23)25-13-12-22-10-8-17(14-24,9-11-22)18-15-6-4-3-5-7-15;1-2-3-4(5)6;2-1(3)4/h6-10H,4-5,11-17H2,1-3H3;4-8,19H,3,9-15H2,1-2H3;3-7,18,24H,2,8-14H2,1H3;2-3H2,1H3;1H
InChIKeyAZYPGYLXKYBZTK-UHFFFAOYSA-N
XLogP8.21
TPSA268.34 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001349.35
LogP ≤ 58.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;1-[2-(4-ethyl-5-methylidenetetrazol-1-yl)ethyl]-N-methyl-4-(N-phenylanilino)piperidine-4-carboxamide
CID 161107111
1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 158433136
N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 19772611
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;4-methylbenzenesulfonic acid
CID 175045392
N-[4-(methoxymethyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879878
methyl 3-[4-(methylperoxymethyl)-4-(N-propanoylanilino)piperidin-1-yl]propanoate
CID 89088772
N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879890
CID 70906736
CID 70906736
hexanedioic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 53340920
N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 19772576
N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide;octadecanoic acid
CID 23299017
N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 19772560

Frequently Asked Questions

What is the IUPAC name of [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (CID 157283573) is [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CCOc2nnnn2CC)CC1.CCCC(=O)Cl.CCn1nnnc1OCCN1CCC(CO)(Nc2ccccc2)CC1.CCn1nnnc1OCCN1CCC(COC)(Nc2ccccc2)CC1.ClC(Cl)Cl.
What is the InChIKey of [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is AZYPGYLXKYBZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O3.C18H28N6O2.C17H26N6O2.C4H7ClO.CHCl3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-29-3)11-13-25(14-12-21)15-16-30-20-22-23-24-26(20)5-2;1-3-24-17(20-21-22-24)26-14-13-23-11-9-18(10-12-23,15-25-2)19-16-7-5-4-6-8-16;1-2-23-16(19-20-21-23)25-13-12-22-10-8-17(14-24,9-11-22)18-15-6-4-3-5-7-15;1-2-3-4(5)6;2-1(3)4/h6-10H,4-5,11-17H2,1-3H3;4-8,19H,3,9-15H2,1-2H3;3-7,18,24H,2,8-14H2,1H3;2-3H2,1H3;1H.
What are the key properties of [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
[4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 1349.35 g/mol, XLogP of 8.21, 29 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 157283573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).