3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride

C24H35Cl2N5O2 — CID 172910434

IUPAC3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
SMILESCc1cc(N2CCN(C(=O)c3c(C)ccn(CC4CCCNC4)c3=O)CC2)cc(C)n1.Cl.Cl
InChIInChI=1S/C24H33N5O2.2ClH/c1-17-6-8-29(16-20-5-4-7-25-15-20)24(31)22(17)23(30)28-11-9-27(10-12-28)21-13-18(2)26-19(3)14-21;;/h6,8,13-14,20,25H,4-5,7,9-12,15-16H2,1-3H3;2*1H
InChIKeyRBXPEASCKFWLDU-UHFFFAOYSA-N
MW496.48 g/mol
LogP2.97
Rot. Bonds4

About 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride

3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride (PubChem CID 172910434) has the molecular formula C24H35Cl2N5O2 and a molecular weight of 496.48 g/mol. Its IUPAC name is 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
PubChem CID172910434
Molecular FormulaC24H35Cl2N5O2
Molecular Weight496.48 g/mol
Exact Mass495.22
IUPAC Name3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
SMILESCc1cc(N2CCN(C(=O)c3c(C)ccn(CC4CCCNC4)c3=O)CC2)cc(C)n1.Cl.Cl
InChIInChI=1S/C24H33N5O2.2ClH/c1-17-6-8-29(16-20-5-4-7-25-15-20)24(31)22(17)23(30)28-11-9-27(10-12-28)21-13-18(2)26-19(3)14-21;;/h6,8,13-14,20,25H,4-5,7,9-12,15-16H2,1-3H3;2*1H
InChIKeyRBXPEASCKFWLDU-UHFFFAOYSA-N
XLogP2.97
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride with MolForge

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Related Compounds

4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350
3-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172660482
ethyl 4-[4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate;hydrochloride
CID 172912301
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910355
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
CID 172912361
4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172669115
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172912366
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910357
3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172913399
4-methyl-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172668051
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172657245

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride?
The IUPAC name of 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride (CID 172910434) is 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride.
What is the SMILES notation for 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride?
The canonical SMILES for 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride is Cc1cc(N2CCN(C(=O)c3c(C)ccn(CC4CCCNC4)c3=O)CC2)cc(C)n1.Cl.Cl.
What is the InChIKey of 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride?
The InChIKey is RBXPEASCKFWLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2.2ClH/c1-17-6-8-29(16-20-5-4-7-25-15-20)24(31)22(17)23(30)28-11-9-27(10-12-28)21-13-18(2)26-19(3)14-21;;/h6,8,13-14,20,25H,4-5,7,9-12,15-16H2,1-3H3;2*1H.
What are the key properties of 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride?
3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride has a molecular weight of 496.48 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride is sourced from PubChem (CID 172910434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).