1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride

C14H19Cl2N3O3 — CID 119673960

IUPAC1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C14H18ClN3O3.ClH/c1-21-12-7-11(16)10(15)6-9(12)14(20)18-4-2-8(3-5-18)13(17)19;/h6-8H,2-5,16H2,1H3,(H2,17,19);1H
InChIKeyXFMQWELDFNWFPE-UHFFFAOYSA-N
MW348.23 g/mol
LogP1.69
Rot. Bonds3

About 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride

1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119673960) has the molecular formula C14H19Cl2N3O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119673960
Molecular FormulaC14H19Cl2N3O3
Molecular Weight348.23 g/mol
Exact Mass347.08
IUPAC Name1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCC(C(N)=O)CC1.Cl
InChIInChI=1S/C14H18ClN3O3.ClH/c1-21-12-7-11(16)10(15)6-9(12)14(20)18-4-2-8(3-5-18)13(17)19;/h6-8H,2-5,16H2,1H3,(H2,17,19);1H
InChIKeyXFMQWELDFNWFPE-UHFFFAOYSA-N
XLogP1.69
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 17312286
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
CID 119780867
1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 119745251
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
1-[[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]methyl]piperidin-2-one;hydrochloride
CID 119794174
1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
CID 19081936
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698241
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride (CID 119673960) is 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N1CCC(C(N)=O)CC1.Cl.
What is the InChIKey of 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is XFMQWELDFNWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3.ClH/c1-21-12-7-11(16)10(15)6-9(12)14(20)18-4-2-8(3-5-18)13(17)19;/h6-8H,2-5,16H2,1H3,(H2,17,19);1H.
What are the key properties of 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride?
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 348.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119673960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).