1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide

C24H33N3O2 — CID 56568752

IUPAC1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)NC3CCN(CC=C(C)C)CC3)c2C)c1
InChIInChI=1S/C24H33N3O2/c1-17(2)9-12-26-13-10-20(11-14-26)25-24(28)23-15-18(3)27(19(23)4)21-7-6-8-22(16-21)29-5/h6-9,15-16,20H,10-14H2,1-5H3,(H,25,28)
InChIKeyNICLAACUYXRXHQ-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.26
Rot. Bonds6

About 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide

1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide (PubChem CID 56568752) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
PubChem CID56568752
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)NC3CCN(CC=C(C)C)CC3)c2C)c1
InChIInChI=1S/C24H33N3O2/c1-17(2)9-12-26-13-10-20(11-14-26)25-24(28)23-15-18(3)27(19(23)4)21-7-6-8-22(16-21)29-5/h6-9,15-16,20H,10-14H2,1-5H3,(H,25,28)
InChIKeyNICLAACUYXRXHQ-UHFFFAOYSA-N
XLogP4.26
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2,5-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrrole-3-carboxamide
CID 52710868
1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55978323
1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56569542
1-(2-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55991329
(4-cyclopentylpiperazin-1-yl)-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 55911978
ethyl 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbonyl]amino]piperidine-1-carboxylate
CID 7708936
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55972659
N-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 35558175
1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119389561
1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide
CID 55910695
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56799041

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide (CID 56568752) is 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide is COc1cccc(-n2c(C)cc(C(=O)NC3CCN(CC=C(C)C)CC3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide?
The InChIKey is NICLAACUYXRXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-17(2)9-12-26-13-10-20(11-14-26)25-24(28)23-15-18(3)27(19(23)4)21-7-6-8-22(16-21)29-5/h6-9,15-16,20H,10-14H2,1-5H3,(H,25,28).
What are the key properties of 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide?
1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 56568752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).