(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride

C18H25Cl2N3O3 — CID 119378579

IUPAC(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C18H24ClN3O3.ClH/c1-25-16-7-6-12(19)10-14(16)17(23)22-9-3-5-15(22)18(24)21-8-2-4-13(20)11-21;/h6-7,10,13,15H,2-5,8-9,11,20H2,1H3;1H
InChIKeyYYNCTRSLWLLXMK-UHFFFAOYSA-N
MW402.32 g/mol
LogP2.32
Rot. Bonds3

About (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 119378579) has the molecular formula C18H25Cl2N3O3 and a molecular weight of 402.32 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
PubChem CID119378579
Molecular FormulaC18H25Cl2N3O3
Molecular Weight402.32 g/mol
Exact Mass401.13
IUPAC Name(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C18H24ClN3O3.ClH/c1-25-16-7-6-12(19)10-14(16)17(23)22-9-3-5-15(22)18(24)21-8-2-4-13(20)11-21;/h6-7,10,13,15H,2-5,8-9,11,20H2,1H3;1H
InChIKeyYYNCTRSLWLLXMK-UHFFFAOYSA-N
XLogP2.32
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561047
[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(1,4-diazepan-1-yl)methanone
CID 119415519
[(2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(3-hydroxybenzoyl)piperazin-1-yl]methanone
CID 95279808
(3-aminoazetidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 65244224
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
benzyl (2R)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1270397
[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538641
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride (CID 119378579) is (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is YYNCTRSLWLLXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3.ClH/c1-25-16-7-6-12(19)10-14(16)17(23)22-9-3-5-15(22)18(24)21-8-2-4-13(20)11-21;/h6-7,10,13,15H,2-5,8-9,11,20H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 402.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 119378579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).