(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride

C17H24ClN3O4 — CID 119727479

IUPAC(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CC(O)CN3)CC2)c1.Cl
InChIInChI=1S/C17H23N3O4.ClH/c1-24-14-4-2-3-12(9-14)16(22)19-5-7-20(8-6-19)17(23)15-10-13(21)11-18-15;/h2-4,9,13,15,18,21H,5-8,10-11H2,1H3;1H
InChIKeyNKNSDFFFHLONKS-UHFFFAOYSA-N
MW369.85 g/mol
LogP0.12
Rot. Bonds3

About (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride

(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119727479) has the molecular formula C17H24ClN3O4 and a molecular weight of 369.85 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119727479
Molecular FormulaC17H24ClN3O4
Molecular Weight369.85 g/mol
Exact Mass369.15
IUPAC Name(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3CC(O)CN3)CC2)c1.Cl
InChIInChI=1S/C17H23N3O4.ClH/c1-24-14-4-2-3-12(9-14)16(22)19-5-7-20(8-6-19)17(23)15-10-13(21)11-18-15;/h2-4,9,13,15,18,21H,5-8,10-11H2,1H3;1H
InChIKeyNKNSDFFFHLONKS-UHFFFAOYSA-N
XLogP0.12
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119747850
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181198
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119756686
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119692273
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727471
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119747793
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119898039

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride (CID 119727479) is (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride is COc1cccc(C(=O)N2CCN(C(=O)C3CC(O)CN3)CC2)c1.Cl.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is NKNSDFFFHLONKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4.ClH/c1-24-14-4-2-3-12(9-14)16(22)19-5-7-20(8-6-19)17(23)15-10-13(21)11-18-15;/h2-4,9,13,15,18,21H,5-8,10-11H2,1H3;1H.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride?
(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119727479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).