N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide

C19H29N3O2 — CID 119931825

IUPACN-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1CC1CCNCC1
InChIInChI=1S/C19H29N3O2/c1-14-5-6-18(24-2)16(12-14)21-19(23)17-4-3-11-22(17)13-15-7-9-20-10-8-15/h5-6,12,15,17,20H,3-4,7-11,13H2,1-2H3,(H,21,23)
InChIKeyGRBXWGCUGKIPHH-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.41
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 119931825) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID119931825
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1CC1CCNCC1
InChIInChI=1S/C19H29N3O2/c1-14-5-6-18(24-2)16(12-14)21-19(23)17-4-3-11-22(17)13-15-7-9-20-10-8-15/h5-6,12,15,17,20H,3-4,7-11,13H2,1-2H3,(H,21,23)
InChIKeyGRBXWGCUGKIPHH-UHFFFAOYSA-N
XLogP2.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
(2S)-N-(2-methoxy-5-methylphenyl)-1-[2-[(2S)-oxolan-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 124621589
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791314
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119791313
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879
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
N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119930519
2-methylpropyl 2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4317281
N-(2-methoxy-5-methylphenyl)-2-piperidin-3-ylacetamide
CID 62689682

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 119931825) is N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN1CC1CCNCC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is GRBXWGCUGKIPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-5-6-18(24-2)16(12-14)21-19(23)17-4-3-11-22(17)13-15-7-9-20-10-8-15/h5-6,12,15,17,20H,3-4,7-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.41, 5 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-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119931825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).