methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate

C24H30N2O5 — CID 43925728

IUPACmethyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C24H30N2O5/c1-16-7-9-17(10-8-16)14-26-11-5-6-18(15-26)23(27)25-20-13-22(30-3)21(29-2)12-19(20)24(28)31-4/h7-10,12-13,18H,5-6,11,14-15H2,1-4H3,(H,25,27)
InChIKeyVBQZLNLSPHMTMQ-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.65
Rot. Bonds7

About methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate

methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate (PubChem CID 43925728) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate
PubChem CID43925728
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Namemethyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C24H30N2O5/c1-16-7-9-17(10-8-16)14-26-11-5-6-18(15-26)23(27)25-20-13-22(30-3)21(29-2)12-19(20)24(28)31-4/h7-10,12-13,18H,5-6,11,14-15H2,1-4H3,(H,25,27)
InChIKeyVBQZLNLSPHMTMQ-UHFFFAOYSA-N
XLogP3.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
CID 43925734
methyl 2-[[1-[(3-bromophenyl)methyl]piperidine-3-carbonyl]amino]-4,5-dimethoxybenzoate
CID 43925735
methyl 4,5-dimethoxy-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 46404099
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
N-(2-methoxy-5-nitrophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923801
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919136
methyl 2-[[(3S)-1-benzylpiperidine-3-carbonyl]amino]benzoate
CID 93490753
methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45012095
methyl 2-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43919883
methyl 3-[[(3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-2-methylbenzoate
CID 93492164
N-(4-iodo-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43923842
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92851241

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate (CID 43925728) is methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate?
The InChIKey is VBQZLNLSPHMTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16-7-9-17(10-8-16)14-26-11-5-6-18(15-26)23(27)25-20-13-22(30-3)21(29-2)12-19(20)24(28)31-4/h7-10,12-13,18H,5-6,11,14-15H2,1-4H3,(H,25,27).
What are the key properties of methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate?
methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate has a molecular weight of 426.51 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[[1-[(4-methylphenyl)methyl]piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 43925728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).