tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate

C32H41N3O6 — CID 22557912

IUPACtert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate
SMILESCOc1ccccc1N(Cc1cncc(-c2cc(OC)c(OC)c(OC)c2)c1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C32H41N3O6/c1-32(2,3)41-31(36)34-14-12-25(13-15-34)35(26-10-8-9-11-27(26)37-4)21-22-16-24(20-33-19-22)23-17-28(38-5)30(40-7)29(18-23)39-6/h8-11,16-20,25H,12-15,21H2,1-7H3
InChIKeyLTUPGDHQPJSDIA-UHFFFAOYSA-N
MW563.70 g/mol
LogP6.19
Rot. Bonds9

About tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate

tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate (PubChem CID 22557912) has the molecular formula C32H41N3O6 and a molecular weight of 563.70 g/mol. Its IUPAC name is tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate
PubChem CID22557912
Molecular FormulaC32H41N3O6
Molecular Weight563.70 g/mol
Exact Mass563.30
IUPAC Nametert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate
SMILESCOc1ccccc1N(Cc1cncc(-c2cc(OC)c(OC)c(OC)c2)c1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C32H41N3O6/c1-32(2,3)41-31(36)34-14-12-25(13-15-34)35(26-10-8-9-11-27(26)37-4)21-22-16-24(20-33-19-22)23-17-28(38-5)30(40-7)29(18-23)39-6/h8-11,16-20,25H,12-15,21H2,1-7H3
InChIKeyLTUPGDHQPJSDIA-UHFFFAOYSA-N
XLogP6.19
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-methoxy-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 22557834
tert-butyl 4-[2-(trifluoromethyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]anilino]piperidine-1-carboxylate
CID 18174348
N-phenyl-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 22557951
tert-butyl 4-[3,4-difluoro-N-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 21352589
tert-butyl 4-[4-(trifluoromethoxy)-N-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 21352604
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl 4-[N-[[2-(3,4-dimethoxy-5-methylphenyl)-4-pyridinyl]methyl]-3-methoxyanilino]piperidine-1-carboxylate
CID 58603931
tert-butyl 4-[4-bromo-N-[[2-(3,4-dimethoxy-5-methylphenyl)-4-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 58603946
tert-butyl 4-[N-[[2-(3-cyclopropyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-4-ethoxyanilino]piperidine-1-carboxylate
CID 142218027
4-[piperidin-4-yl-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]amino]benzenethiol
CID 70998943
tert-butyl (3S)-3-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]pyrrolidine-1-carboxylate
CID 146278733
tert-butyl 4-[1-phenyl-4-[(3,4,5-trimethoxyphenyl)carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46253466

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate (CID 22557912) is tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate is COc1ccccc1N(Cc1cncc(-c2cc(OC)c(OC)c(OC)c2)c1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate?
The InChIKey is LTUPGDHQPJSDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N3O6/c1-32(2,3)41-31(36)34-14-12-25(13-15-34)35(26-10-8-9-11-27(26)37-4)21-22-16-24(20-33-19-22)23-17-28(38-5)30(40-7)29(18-23)39-6/h8-11,16-20,25H,12-15,21H2,1-7H3.
What are the key properties of tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate?
tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate has a molecular weight of 563.70 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methoxy-N-[[5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methyl]anilino]piperidine-1-carboxylate is sourced from PubChem (CID 22557912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).