4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride

C18H26ClN3O2 — CID 119402263

IUPAC4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCCCc1ccc(N2CC(C(=O)N3CCNCC3)CC2=O)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-2-3-14-4-6-16(7-5-14)21-13-15(12-17(21)22)18(23)20-10-8-19-9-11-20;/h4-7,15,19H,2-3,8-13H2,1H3;1H
InChIKeyMXVKPVHXVGYFIZ-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.85
Rot. Bonds4

About 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride

4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride (PubChem CID 119402263) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
PubChem CID119402263
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
SMILESCCCc1ccc(N2CC(C(=O)N3CCNCC3)CC2=O)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-2-3-14-4-6-16(7-5-14)21-13-15(12-17(21)22)18(23)20-10-8-19-9-11-20;/h4-7,15,19H,2-3,8-13H2,1H3;1H
InChIKeyMXVKPVHXVGYFIZ-UHFFFAOYSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,4-diazepane-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one
CID 119416770
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119540758
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 119623843
1-(4-ethylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995208
4-[3-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119397198
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 174964651
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-ethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119518509
1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119471488
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329
1-(4-ethylphenyl)-4-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119544467

Frequently Asked Questions

What is the IUPAC name of 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride (CID 119402263) is 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride is CCCc1ccc(N2CC(C(=O)N3CCNCC3)CC2=O)cc1.Cl.
What is the InChIKey of 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is MXVKPVHXVGYFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-2-3-14-4-6-16(7-5-14)21-13-15(12-17(21)22)18(23)20-10-8-19-9-11-20;/h4-7,15,19H,2-3,8-13H2,1H3;1H.
What are the key properties of 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride?
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119402263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).