[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

C19H27Cl2N3O3 — CID 119561047

IUPAC[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1.Cl
InChIInChI=1S/C19H26ClN3O3.ClH/c1-21-14-7-10-22(11-8-14)19(25)16-4-3-9-23(16)18(24)15-12-13(20)5-6-17(15)26-2;/h5-6,12,14,16,21H,3-4,7-11H2,1-2H3;1H
InChIKeyIATDHMCQQQYXBC-UHFFFAOYSA-N
MW416.35 g/mol
LogP2.59
Rot. Bonds4

About [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride

[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119561047) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119561047
Molecular FormulaC19H27Cl2N3O3
Molecular Weight416.35 g/mol
Exact Mass415.14
IUPAC Name[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1.Cl
InChIInChI=1S/C19H26ClN3O3.ClH/c1-21-14-7-10-22(11-8-14)19(25)16-4-3-9-23(16)18(24)15-12-13(20)5-6-17(15)26-2;/h5-6,12,14,16,21H,3-4,7-11H2,1-2H3;1H
InChIKeyIATDHMCQQQYXBC-UHFFFAOYSA-N
XLogP2.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methanone;hydrochloride
CID 119378579
[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
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
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
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
3-[[1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232500
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
N-(6-amino-3-pyridinyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119515458

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119561047) is [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCN(C(=O)C2CCCN2C(=O)c2cc(Cl)ccc2OC)CC1.Cl.
What is the InChIKey of [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is IATDHMCQQQYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3.ClH/c1-21-14-7-10-22(11-8-14)19(25)16-4-3-9-23(16)18(24)15-12-13(20)5-6-17(15)26-2;/h5-6,12,14,16,21H,3-4,7-11H2,1-2H3;1H.
What are the key properties of [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 416.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119561047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).