(2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone

C20H24N2O4 — CID 95730182

IUPAC(2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)c[nH]3)C2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-13-9-17(21-11-13)20(24)22-8-4-5-14(12-22)19(23)16-7-6-15(25-2)10-18(16)26-3/h6-7,9-11,14,21H,4-5,8,12H2,1-3H3/t14-/m1/s1
InChIKeyLPEVKBCCUJYFQT-CQSZACIVSA-N
MW356.42 g/mol
LogP3.08
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone

(2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 95730182) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
PubChem CID95730182
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)c[nH]3)C2)c(OC)c1
InChIInChI=1S/C20H24N2O4/c1-13-9-17(21-11-13)20(24)22-8-4-5-14(12-22)19(23)16-7-6-15(25-2)10-18(16)26-3/h6-7,9-11,14,21H,4-5,8,12H2,1-3H3/t14-/m1/s1
InChIKeyLPEVKBCCUJYFQT-CQSZACIVSA-N
XLogP3.08
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(2,4-dimethoxybenzoyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 97138740
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
(2,4-dimethoxyphenyl)-piperidin-1-ylmethanethione
CID 15398722
[1-(4-amino-5-methylpyrimidin-2-yl)piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 56873653
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
1-[4-[(3S)-3-(4-methoxy-2-methylbenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 42458351
(2,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 879066
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone (CID 95730182) is (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone is COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)c[nH]3)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is LPEVKBCCUJYFQT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-9-17(21-11-13)20(24)22-8-4-5-14(12-22)19(23)16-7-6-15(25-2)10-18(16)26-3/h6-7,9-11,14,21H,4-5,8,12H2,1-3H3/t14-/m1/s1.
What are the key properties of (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone?
(2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 356.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[(3R)-1-(4-methyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 95730182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).