3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride

C21H31ClN4O3 — CID 119783889

IUPAC3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCOC1(C(=O)N2CCN(C3CCN(c4ccccc4)C3=O)CC2)CCNCC1.Cl
InChIInChI=1S/C21H30N4O3.ClH/c1-28-21(8-10-22-11-9-21)20(27)24-15-13-23(14-16-24)18-7-12-25(19(18)26)17-5-3-2-4-6-17;/h2-6,18,22H,7-16H2,1H3;1H
InChIKeyMGEHBISPGINOHL-UHFFFAOYSA-N
MW422.96 g/mol
LogP1.13
Rot. Bonds4

About 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride

3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride (PubChem CID 119783889) has the molecular formula C21H31ClN4O3 and a molecular weight of 422.96 g/mol. Its IUPAC name is 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
PubChem CID119783889
Molecular FormulaC21H31ClN4O3
Molecular Weight422.96 g/mol
Exact Mass422.21
IUPAC Name3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCOC1(C(=O)N2CCN(C3CCN(c4ccccc4)C3=O)CC2)CCNCC1.Cl
InChIInChI=1S/C21H30N4O3.ClH/c1-28-21(8-10-22-11-9-21)20(27)24-15-13-23(14-16-24)18-7-12-25(19(18)26)17-5-3-2-4-6-17;/h2-6,18,22H,7-16H2,1H3;1H
InChIKeyMGEHBISPGINOHL-UHFFFAOYSA-N
XLogP1.13
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119323770
3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120989773
3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119783870
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323757
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
(4-methoxypiperidin-4-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone;hydrochloride
CID 119741426
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119876180
3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323783
3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783871
(2,6-difluorophenyl)-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119756702

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride (CID 119783889) is 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride is COC1(C(=O)N2CCN(C3CCN(c4ccccc4)C3=O)CC2)CCNCC1.Cl.
What is the InChIKey of 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The InChIKey is MGEHBISPGINOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3.ClH/c1-28-21(8-10-22-11-9-21)20(27)24-15-13-23(14-16-24)18-7-12-25(19(18)26)17-5-3-2-4-6-17;/h2-6,18,22H,7-16H2,1H3;1H.
What are the key properties of 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride has a molecular weight of 422.96 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119783889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).