3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride

C20H28Cl2N4O — CID 119868605

IUPAC3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
SMILESCN(C(=O)c1cccc(N)c1)C1CCN(CCc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C20H26N4O.2ClH/c1-23(20(25)16-5-4-6-17(21)15-16)19-9-13-24(14-10-19)12-8-18-7-2-3-11-22-18;;/h2-7,11,15,19H,8-10,12-14,21H2,1H3;2*1H
InChIKeyMWPYPCQYPGMNFX-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.29
Rot. Bonds5

About 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride

3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride (PubChem CID 119868605) has the molecular formula C20H28Cl2N4O and a molecular weight of 411.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
PubChem CID119868605
Molecular FormulaC20H28Cl2N4O
Molecular Weight411.38 g/mol
Exact Mass410.16
IUPAC Name3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
SMILESCN(C(=O)c1cccc(N)c1)C1CCN(CCc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C20H26N4O.2ClH/c1-23(20(25)16-5-4-6-17(21)15-16)19-9-13-24(14-10-19)12-8-18-7-2-3-11-22-18;;/h2-7,11,15,19H,8-10,12-14,21H2,1H3;2*1H
InChIKeyMWPYPCQYPGMNFX-UHFFFAOYSA-N
XLogP3.29
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609141
N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609216
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119868611
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119868601
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52510919
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride (CID 119868605) is 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride is CN(C(=O)c1cccc(N)c1)C1CCN(CCc2ccccn2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride?
The InChIKey is MWPYPCQYPGMNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.2ClH/c1-23(20(25)16-5-4-6-17(21)15-16)19-9-13-24(14-10-19)12-8-18-7-2-3-11-22-18;;/h2-7,11,15,19H,8-10,12-14,21H2,1H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride?
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride has a molecular weight of 411.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride is sourced from PubChem (CID 119868605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).