1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide

C27H33N3O3 — CID 55978323

IUPAC1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NC3CCN(Cc4ccccc4OC)CC3)c2C)cc1
InChIInChI=1S/C27H33N3O3/c1-19-17-25(20(2)30(19)23-9-11-24(32-3)12-10-23)27(31)28-22-13-15-29(16-14-22)18-21-7-5-6-8-26(21)33-4/h5-12,17,22H,13-16,18H2,1-4H3,(H,28,31)
InChIKeyBSFQXUKOFJLXOR-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.51
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide

1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55978323) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55978323
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(C)cc(C(=O)NC3CCN(Cc4ccccc4OC)CC3)c2C)cc1
InChIInChI=1S/C27H33N3O3/c1-19-17-25(20(2)30(19)23-9-11-24(32-3)12-10-23)27(31)28-22-13-15-29(16-14-22)18-21-7-5-6-8-26(21)33-4/h5-12,17,22H,13-16,18H2,1-4H3,(H,28,31)
InChIKeyBSFQXUKOFJLXOR-UHFFFAOYSA-N
XLogP4.51
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56568752
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55991329
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55952631
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 2572789
3,4,5-trimethoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 55951861
5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 55951357
N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 35558175
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55951612
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55979484
6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55979218

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide (CID 55978323) is 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide is COc1ccc(-n2c(C)cc(C(=O)NC3CCN(Cc4ccccc4OC)CC3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is BSFQXUKOFJLXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19-17-25(20(2)30(19)23-9-11-24(32-3)12-10-23)27(31)28-22-13-15-29(16-14-22)18-21-7-5-6-8-26(21)33-4/h5-12,17,22H,13-16,18H2,1-4H3,(H,28,31).
What are the key properties of 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55978323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).