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

C18H24Cl2N4O — CID 119946399

IUPAC2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C18H22N4O.2ClH/c19-16-7-3-2-6-15(16)18(23)21-13-14-8-9-20-17(12-14)22-10-4-1-5-11-22;;/h2-3,6-9,12H,1,4-5,10-11,13,19H2,(H,21,23);2*1H
InChIKeyQEXXXZLHLUUHOX-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.43
Rot. Bonds4

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

2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride (PubChem CID 119946399) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
PubChem CID119946399
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C18H22N4O.2ClH/c19-16-7-3-2-6-15(16)18(23)21-13-14-8-9-20-17(12-14)22-10-4-1-5-11-22;;/h2-3,6-9,12H,1,4-5,10-11,13,19H2,(H,21,23);2*1H
InChIKeyQEXXXZLHLUUHOX-UHFFFAOYSA-N
XLogP3.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.43
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

2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
CID 71888974
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 120595081

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride (CID 119946399) is 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)NCc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
The InChIKey is QEXXXZLHLUUHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.2ClH/c19-16-7-3-2-6-15(16)18(23)21-13-14-8-9-20-17(12-14)22-10-4-1-5-11-22;;/h2-3,6-9,12H,1,4-5,10-11,13,19H2,(H,21,23);2*1H.
What are the key properties of 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride?
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).