N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide

C17H23N3O3 — CID 136514939

IUPACN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)C2CCNC(=O)C2)C1
InChIInChI=1S/C17H23N3O3/c1-23-15-5-3-2-4-14(15)20-9-7-13(11-20)19-17(22)12-6-8-18-16(21)10-12/h2-5,12-13H,6-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyVGPPTPXTIHESIB-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.92
Rot. Bonds4

About N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide (PubChem CID 136514939) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
PubChem CID136514939
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)C2CCNC(=O)C2)C1
InChIInChI=1S/C17H23N3O3/c1-23-15-5-3-2-4-14(15)20-9-7-13(11-20)19-17(22)12-6-8-18-16(21)10-12/h2-5,12-13H,6-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyVGPPTPXTIHESIB-UHFFFAOYSA-N
XLogP0.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119895345
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
1-[2-(dimethylamino)ethyl]-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 136514271
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 119895333
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
CID 136517434
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119895364

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide (CID 136514939) is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide is COc1ccccc1N1CCC(NC(=O)C2CCNC(=O)C2)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide?
The InChIKey is VGPPTPXTIHESIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-5-3-2-4-14(15)20-9-7-13(11-20)19-17(22)12-6-8-18-16(21)10-12/h2-5,12-13H,6-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide?
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 136514939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).