(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide

C23H30N2O5 — CID 1129906

IUPAC(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C23H30N2O5/c1-27-19-10-8-16(13-21(19)29-3)15-25-12-6-5-7-18(25)23(26)24-17-9-11-20(28-2)22(14-17)30-4/h8-11,13-14,18H,5-7,12,15H2,1-4H3,(H,24,26)/t18-/m0/s1
InChIKeyIJPQGRUSJZIPCB-SFHVURJKSA-N
MW414.50 g/mol
LogP3.71
Rot. Bonds8

About (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide

(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide (PubChem CID 1129906) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
PubChem CID1129906
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
SMILESCOc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C23H30N2O5/c1-27-19-10-8-16(13-21(19)29-3)15-25-12-6-5-7-18(25)23(26)24-17-9-11-20(28-2)22(14-17)30-4/h8-11,13-14,18H,5-7,12,15H2,1-4H3,(H,24,26)/t18-/m0/s1
InChIKeyIJPQGRUSJZIPCB-SFHVURJKSA-N
XLogP3.71
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
(2S)-1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 1119532
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide
CID 110173562
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide;hydrate
CID 110194273
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 110194147
1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide
CID 131910005
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
1-[(3-methoxy-4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040395
benzyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 13154144
methyl 2-hydroxy-4-[[1-[(3-methylphenyl)methyl]piperidine-2-carbonyl]amino]benzoate
CID 167885152

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide (CID 1129906) is (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide is COc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is IJPQGRUSJZIPCB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-27-19-10-8-16(13-21(19)29-3)15-25-12-6-5-7-18(25)23(26)24-17-9-11-20(28-2)22(14-17)30-4/h8-11,13-14,18H,5-7,12,15H2,1-4H3,(H,24,26)/t18-/m0/s1.
What are the key properties of (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide?
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 414.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 1129906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).