methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate

C22H30N2O5 — CID 23324811

IUPACmethyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate
SMILESCC#CCN1CCC(C(=O)OC)(N(C(=O)C(C)OC)c2ccccc2OC)CC1
InChIInChI=1S/C22H30N2O5/c1-6-7-14-23-15-12-22(13-16-23,21(26)29-5)24(20(25)17(2)27-3)18-10-8-9-11-19(18)28-4/h8-11,17H,12-16H2,1-5H3
InChIKeyUZOLQIGQMINAAE-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.09
Rot. Bonds7

About methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate

methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate (PubChem CID 23324811) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate
PubChem CID23324811
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Namemethyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate
SMILESCC#CCN1CCC(C(=O)OC)(N(C(=O)C(C)OC)c2ccccc2OC)CC1
InChIInChI=1S/C22H30N2O5/c1-6-7-14-23-15-12-22(13-16-23,21(26)29-5)24(20(25)17(2)27-3)18-10-8-9-11-19(18)28-4/h8-11,17H,12-16H2,1-5H3
InChIKeyUZOLQIGQMINAAE-UHFFFAOYSA-N
XLogP2.09
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 154843476
bis(methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-methylpropyl)piperidine-4-carboxylate);oxalic acid
CID 173411924
4-ethyl-N-(2-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 63129012
methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203
methyl 4-[acetyl-[(2-methoxyphenyl)methoxy]amino]-1-(2-phenylethyl)piperidine-4-carboxylate
CID 23324834
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334
sodium;hydride;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 173002379
1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 61461787
methyl 1-[3-(2,2-dimethylpropoxy)-3-oxopropyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873763
1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96576694
methyl 1-(N-(2-hydroxyacetyl)anilino)cyclopropane-1-carboxylate
CID 20502742

Frequently Asked Questions

What is the IUPAC name of methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate?
The IUPAC name of methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate (CID 23324811) is methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate is CC#CCN1CCC(C(=O)OC)(N(C(=O)C(C)OC)c2ccccc2OC)CC1.
What is the InChIKey of methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate?
The InChIKey is UZOLQIGQMINAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-6-7-14-23-15-12-22(13-16-23,21(26)29-5)24(20(25)17(2)27-3)18-10-8-9-11-19(18)28-4/h8-11,17H,12-16H2,1-5H3.
What are the key properties of methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate?
methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate has a molecular weight of 402.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-but-2-ynyl-4-[2-methoxy-N-(2-methoxypropanoyl)anilino]piperidine-4-carboxylate is sourced from PubChem (CID 23324811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).