1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C28H29N5O2 — CID 53198927

IUPAC1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCCC(C(=O)NCc4ccccn4)C3)nc3ccccc32)cc1
InChIInChI=1S/C28H29N5O2/c1-20-11-13-21(14-12-20)18-33-25-10-3-2-9-24(25)31-26(28(33)35)32-16-6-7-22(19-32)27(34)30-17-23-8-4-5-15-29-23/h2-5,8-15,22H,6-7,16-19H2,1H3,(H,30,34)
InChIKeyZLAIFNNROBTZKJ-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.68
Rot. Bonds6

About 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 53198927) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID53198927
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(N3CCCC(C(=O)NCc4ccccn4)C3)nc3ccccc32)cc1
InChIInChI=1S/C28H29N5O2/c1-20-11-13-21(14-12-20)18-33-25-10-3-2-9-24(25)31-26(28(33)35)32-16-6-7-22(19-32)27(34)30-17-23-8-4-5-15-29-23/h2-5,8-15,22H,6-7,16-19H2,1H3,(H,30,34)
InChIKeyZLAIFNNROBTZKJ-UHFFFAOYSA-N
XLogP3.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070369
(3S)-N-[2-(4-methylphenyl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457841
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 50781390
N-butyl-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070361
(3S)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 95059143
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129424334
N-(3-ethoxypropyl)-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 53070354
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 30457551
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129427303
(3S)-1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 30455822
(3S)-N-[(2-methoxyphenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92889292

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 53198927) is 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Cc1ccc(Cn2c(=O)c(N3CCCC(C(=O)NCc4ccccn4)C3)nc3ccccc32)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is ZLAIFNNROBTZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-20-11-13-21(14-12-20)18-33-25-10-3-2-9-24(25)31-26(28(33)35)32-16-6-7-22(19-32)27(34)30-17-23-8-4-5-15-29-23/h2-5,8-15,22H,6-7,16-19H2,1H3,(H,30,34).
What are the key properties of 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53198927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).