4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

C26H38Cl2N4O2 — CID 172912500

IUPAC4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NC1CCN(CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C26H36N4O2.2ClH/c1-20-9-17-30(19-22-8-5-13-27-18-22)26(32)24(20)25(31)28-23-11-15-29(16-12-23)14-10-21-6-3-2-4-7-21;;/h2-4,6-7,9,17,22-23,27H,5,8,10-16,18-19H2,1H3,(H,28,31);2*1H
InChIKeyODRBLFYWGAWXRU-UHFFFAOYSA-N
MW509.52 g/mol
LogP3.44
Rot. Bonds7

About 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride

4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 172912500) has the molecular formula C26H38Cl2N4O2 and a molecular weight of 509.52 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID172912500
Molecular FormulaC26H38Cl2N4O2
Molecular Weight509.52 g/mol
Exact Mass508.24
IUPAC Name4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NC1CCN(CCc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C26H36N4O2.2ClH/c1-20-9-17-30(19-22-8-5-13-27-18-22)26(32)24(20)25(31)28-23-11-15-29(16-12-23)14-10-21-6-3-2-4-7-21;;/h2-4,6-7,9,17,22-23,27H,5,8,10-16,18-19H2,1H3,(H,28,31);2*1H
InChIKeyODRBLFYWGAWXRU-UHFFFAOYSA-N
XLogP3.44
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172663999
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172659458
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658238
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715
4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886
N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
CID 172912279
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172666932
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
4-methyl-2-oxo-N-(2-phenylethyl)-1-(piperidin-3-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913236
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911176
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride (CID 172912500) is 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NC1CCN(CCc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is ODRBLFYWGAWXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2.2ClH/c1-20-9-17-30(19-22-8-5-13-27-18-22)26(32)24(20)25(31)28-23-11-15-29(16-12-23)14-10-21-6-3-2-4-7-21;;/h2-4,6-7,9,17,22-23,27H,5,8,10-16,18-19H2,1H3,(H,28,31);2*1H.
What are the key properties of 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride?
4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 509.52 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[1-(2-phenylethyl)piperidin-4-yl]-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172912500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).