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

C26H30FN3O2 — CID 55991329

IUPAC1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)c1
InChIInChI=1S/C26H30FN3O2/c1-18-15-23(19(2)30(18)25-10-5-4-9-24(25)27)26(31)28-21-11-13-29(14-12-21)17-20-7-6-8-22(16-20)32-3/h4-10,15-16,21H,11-14,17H2,1-3H3,(H,28,31)
InChIKeyUNLDPMVXKKABNX-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.64
Rot. Bonds6

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

1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55991329) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55991329
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1cccc(CN2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)c1
InChIInChI=1S/C26H30FN3O2/c1-18-15-23(19(2)30(18)25-10-5-4-9-24(25)27)26(31)28-21-11-13-29(14-12-21)17-20-7-6-8-22(16-20)32-3/h4-10,15-16,21H,11-14,17H2,1-3H3,(H,28,31)
InChIKeyUNLDPMVXKKABNX-UHFFFAOYSA-N
XLogP4.64
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 46532183
1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 24655315
N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 25394128
1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56568752
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930
1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 86964132
1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55978323
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 35558175
1-(2-fluorophenyl)sulfonyl-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55945570

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide (CID 55991329) is 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide is COc1cccc(CN2CCC(NC(=O)c3cc(C)n(-c4ccccc4F)c3C)CC2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is UNLDPMVXKKABNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-18-15-23(19(2)30(18)25-10-5-4-9-24(25)27)26(31)28-21-11-13-29(14-12-21)17-20-7-6-8-22(16-20)32-3/h4-10,15-16,21H,11-14,17H2,1-3H3,(H,28,31).
What are the key properties of 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide?
1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55991329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).