4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one

C25H28N4O2 — CID 172657157

IUPAC4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H28N4O2/c1-19-11-13-29(20(2)21-8-4-3-5-9-21)25(31)23(19)24(30)28-16-14-27(15-17-28)18-22-10-6-7-12-26-22/h3-13,20H,14-18H2,1-2H3
InChIKeyZLPCPZWIHOLDNM-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.12
Rot. Bonds5

About 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one

4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one (PubChem CID 172657157) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one
PubChem CID172657157
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H28N4O2/c1-19-11-13-29(20(2)21-8-4-3-5-9-21)25(31)23(19)24(30)28-16-14-27(15-17-28)18-22-10-6-7-12-26-22/h3-13,20H,14-18H2,1-2H3
InChIKeyZLPCPZWIHOLDNM-UHFFFAOYSA-N
XLogP3.12
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

4-methyl-1-(1-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]pyridin-2-one
CID 172664690
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910357
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357
2-methyl-7-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 172660337
1-[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 172667558
2-propan-2-yl-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one
CID 51262953
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-3-carboxamide
CID 172656517
(5-amino-2-methylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 120647849
oxalic acid;(4-phenylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 17365950
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one (CID 172657157) is 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is ZLPCPZWIHOLDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-19-11-13-29(20(2)21-8-4-3-5-9-21)25(31)23(19)24(30)28-16-14-27(15-17-28)18-22-10-6-7-12-26-22/h3-13,20H,14-18H2,1-2H3.
What are the key properties of 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one?
4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 416.53 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-phenylethyl)-3-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 172657157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).