N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide

C17H25N3O4 — CID 119899355

IUPACN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3CC(O)CN3)C2)c1
InChIInChI=1S/C17H25N3O4/c1-23-14-5-12(6-15(8-14)24-2)20-4-3-11(10-20)19-17(22)16-7-13(21)9-18-16/h5-6,8,11,13,16,18,21H,3-4,7,9-10H2,1-2H3,(H,19,22)
InChIKeyWCJIKNYQMURZQA-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.12
Rot. Bonds5

About N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide

N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119899355) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119899355
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)C3CC(O)CN3)C2)c1
InChIInChI=1S/C17H25N3O4/c1-23-14-5-12(6-15(8-14)24-2)20-4-3-11(10-20)19-17(22)16-7-13(21)9-18-16/h5-6,8,11,13,16,18,21H,3-4,7,9-10H2,1-2H3,(H,19,22)
InChIKeyWCJIKNYQMURZQA-UHFFFAOYSA-N
XLogP0.12
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4S)-4-hydroxy-N-[(3S)-1-(4-methylphenyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 125138833
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119862926
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119898039
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 71863545
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclohexane-1-carboxamide
CID 91644359
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119899384
(2S,5R)-5-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120801472
4-amino-N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-methoxybutanamide;dihydrochloride
CID 120597456
4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119899376
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 119899355) is N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide is COc1cc(OC)cc(N2CCC(NC(=O)C3CC(O)CN3)C2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is WCJIKNYQMURZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-14-5-12(6-15(8-14)24-2)20-4-3-11(10-20)19-17(22)16-7-13(21)9-18-16/h5-6,8,11,13,16,18,21H,3-4,7,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119899355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).