4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride

C18H26ClN3O4 — CID 119699420

IUPAC4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2(OC)CCNCC2)ccc1N1CCCC1=O.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-24-15-12-13(5-6-14(15)21-11-3-4-16(21)22)20-17(23)18(25-2)7-9-19-10-8-18;/h5-6,12,19H,3-4,7-11H2,1-2H3,(H,20,23);1H
InChIKeyJOGGLAYERDZQCZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP1.95
Rot. Bonds5

About 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119699420) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119699420
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Name4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)C2(OC)CCNCC2)ccc1N1CCCC1=O.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-24-15-12-13(5-6-14(15)21-11-3-4-16(21)22)20-17(23)18(25-2)7-9-19-10-8-18;/h5-6,12,19H,3-4,7-11H2,1-2H3,(H,20,23);1H
InChIKeyJOGGLAYERDZQCZ-UHFFFAOYSA-N
XLogP1.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119775305
(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119699420) is 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride is COc1cc(NC(=O)C2(OC)CCNCC2)ccc1N1CCCC1=O.Cl.
What is the InChIKey of 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JOGGLAYERDZQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4.ClH/c1-24-15-12-13(5-6-14(15)21-11-3-4-16(21)22)20-17(23)18(25-2)7-9-19-10-8-18;/h5-6,12,19H,3-4,7-11H2,1-2H3,(H,20,23);1H.
What are the key properties of 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119699420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).