N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide

C20H27N3O — CID 119444278

IUPACN,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide
SMILESCc1ccccc1-n1c(C)cc(C(=O)N(C)C2CCNCC2)c1C
InChIInChI=1S/C20H27N3O/c1-14-7-5-6-8-19(14)23-15(2)13-18(16(23)3)20(24)22(4)17-9-11-21-12-10-17/h5-8,13,17,21H,9-12H2,1-4H3
InChIKeyHHGUAIFWRNZXIY-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.23
Rot. Bonds3

About N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide

N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide (PubChem CID 119444278) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide
PubChem CID119444278
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide
SMILESCc1ccccc1-n1c(C)cc(C(=O)N(C)C2CCNCC2)c1C
InChIInChI=1S/C20H27N3O/c1-14-7-5-6-8-19(14)23-15(2)13-18(16(23)3)20(24)22(4)17-9-11-21-12-10-17/h5-8,13,17,21H,9-12H2,1-4H3
InChIKeyHHGUAIFWRNZXIY-UHFFFAOYSA-N
XLogP3.23
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide (CID 119444278) is N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide is Cc1ccccc1-n1c(C)cc(C(=O)N(C)C2CCNCC2)c1C.
What is the InChIKey of N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide?
The InChIKey is HHGUAIFWRNZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14-7-5-6-8-19(14)23-15(2)13-18(16(23)3)20(24)22(4)17-9-11-21-12-10-17/h5-8,13,17,21H,9-12H2,1-4H3.
What are the key properties of N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide?
N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide is sourced from PubChem (CID 119444278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).