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

C22H28ClN3O4 — CID 119330531

IUPAC2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)C(N)c3ccccc3)CC2)cc1OC.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-28-18-9-8-16(14-19(18)29-2)22(27)25-12-10-17(11-13-25)24-21(26)20(23)15-6-4-3-5-7-15;/h3-9,14,17,20H,10-13,23H2,1-2H3,(H,24,26);1H
InChIKeyZARPVDXVJOQONW-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.55
Rot. Bonds6

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

2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride (PubChem CID 119330531) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
PubChem CID119330531
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)C(N)c3ccccc3)CC2)cc1OC.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-28-18-9-8-16(14-19(18)29-2)22(27)25-12-10-17(11-13-25)24-21(26)20(23)15-6-4-3-5-7-15;/h3-9,14,17,20H,10-13,23H2,1-2H3,(H,24,26);1H
InChIKeyZARPVDXVJOQONW-UHFFFAOYSA-N
XLogP2.55
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357787
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119278567
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride (CID 119330531) is 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride is COc1ccc(C(=O)N2CCC(NC(=O)C(N)c3ccccc3)CC2)cc1OC.Cl.
What is the InChIKey of 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
The InChIKey is ZARPVDXVJOQONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.ClH/c1-28-18-9-8-16(14-19(18)29-2)22(27)25-12-10-17(11-13-25)24-21(26)20(23)15-6-4-3-5-7-15;/h3-9,14,17,20H,10-13,23H2,1-2H3,(H,24,26);1H.
What are the key properties of 2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride?
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 2.55, 6 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]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119330531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).