N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide

C19H27N3O3 — CID 119327957

IUPACN-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1C(=O)C1CCNCC1
InChIInChI=1S/C19H27N3O3/c1-13-5-6-17(25-2)15(12-13)21-18(23)16-4-3-11-22(16)19(24)14-7-9-20-10-8-14/h5-6,12,14,16,20H,3-4,7-11H2,1-2H3,(H,21,23)
InChIKeyRVAATJVHZGPSPP-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.93
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 119327957) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID119327957
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1C(=O)C1CCNCC1
InChIInChI=1S/C19H27N3O3/c1-13-5-6-17(25-2)15(12-13)21-18(23)16-4-3-11-22(16)19(24)14-7-9-20-10-8-14/h5-6,12,14,16,20H,3-4,7-11H2,1-2H3,(H,21,23)
InChIKeyRVAATJVHZGPSPP-UHFFFAOYSA-N
XLogP1.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119931825
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
N-(2-methoxy-5-methylphenyl)-1-(5-methyl-2H-triazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 126791949
1-[2-(4-aminophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791298
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791314
2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4317281
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119791313
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 109150023
1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791330
1-(2-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119327963
1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 86967980

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide (CID 119327957) is N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN1C(=O)C1CCNCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RVAATJVHZGPSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-5-6-17(25-2)15(12-13)21-18(23)16-4-3-11-22(16)19(24)14-7-9-20-10-8-14/h5-6,12,14,16,20H,3-4,7-11H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119327957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).