N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C19H27N3O2 — CID 60621992

IUPACN-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-15-5-7-17(8-6-15)20(2)18(23)16-9-13-22(14-10-16)19(24)21-11-3-4-12-21/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyARBKJOZAYWBMLV-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.89
Rot. Bonds2

About N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 60621992) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID60621992
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(N(C)C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-15-5-7-17(8-6-15)20(2)18(23)16-9-13-22(14-10-16)19(24)21-11-3-4-12-21/h5-8,16H,3-4,9-14H2,1-2H3
InChIKeyARBKJOZAYWBMLV-UHFFFAOYSA-N
XLogP2.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-methyl-N-(4-methylphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidine-4-carboxamide
CID 145388998
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
N,2-dimethyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 106739900
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
N-methyl-N-(4-methylphenyl)-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidine-4-carboxamide
CID 167767782
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744234

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 60621992) is N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is Cc1ccc(N(C)C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is ARBKJOZAYWBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-5-7-17(8-6-15)20(2)18(23)16-9-13-22(14-10-16)19(24)21-11-3-4-12-21/h5-8,16H,3-4,9-14H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 60621992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).