2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride

C21H26ClN3O4 — CID 119945642

IUPAC2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3N)CC2)cc1OC.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-8-7-14(13-19(18)28-2)21(26)24-11-9-15(10-12-24)23-20(25)16-5-3-4-6-17(16)22;/h3-8,13,15H,9-12,22H2,1-2H3,(H,23,25);1H
InChIKeyXCQQQKVDHCMQAD-UHFFFAOYSA-N
MW419.91 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride

2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119945642) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID119945642
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC Name2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3N)CC2)cc1OC.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-8-7-14(13-19(18)28-2)21(26)24-11-9-15(10-12-24)23-20(25)16-5-3-4-6-17(16)22;/h3-8,13,15H,9-12,22H2,1-2H3,(H,23,25);1H
InChIKeyXCQQQKVDHCMQAD-UHFFFAOYSA-N
XLogP2.74
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119330531
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512397
2-methoxy-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134803210
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155957395
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride (CID 119945642) is 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride is COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3N)CC2)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is XCQQQKVDHCMQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4.ClH/c1-27-18-8-7-14(13-19(18)28-2)21(26)24-11-9-15(10-12-24)23-20(25)16-5-3-4-6-17(16)22;/h3-8,13,15H,9-12,22H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride?
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119945642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).