N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide

C27H33N5O2 — CID 53027910

IUPACN-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCn1c(=O)c(N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)nc2ccccc21
InChIInChI=1S/C27H33N5O2/c1-30-24-12-6-5-11-23(24)29-25(27(30)34)32-15-7-10-21(19-32)26(33)28-22-13-16-31(17-14-22)18-20-8-3-2-4-9-20/h2-6,8-9,11-12,21-22H,7,10,13-19H2,1H3,(H,28,33)
InChIKeyXENARECSFFXZDV-UHFFFAOYSA-N
MW459.59 g/mol
LogP2.93
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 53027910) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID53027910
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCn1c(=O)c(N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)nc2ccccc21
InChIInChI=1S/C27H33N5O2/c1-30-24-12-6-5-11-23(24)29-25(27(30)34)32-15-7-10-21(19-32)26(33)28-22-13-16-31(17-14-22)18-20-8-3-2-4-9-20/h2-6,8-9,11-12,21-22H,7,10,13-19H2,1H3,(H,28,33)
InChIKeyXENARECSFFXZDV-UHFFFAOYSA-N
XLogP2.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
1-(4-methyl-3-oxoquinoxalin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53070339
1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 53214191
N-(1-benzylpiperidin-4-yl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522832
(3S)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129427303
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53043839
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 3873283
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide (CID 53027910) is N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide is Cn1c(=O)c(N2CCCC(C(=O)NC3CCN(Cc4ccccc4)CC3)C2)nc2ccccc21.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is XENARECSFFXZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-30-24-12-6-5-11-23(24)29-25(27(30)34)32-15-7-10-21(19-32)26(33)28-22-13-16-31(17-14-22)18-20-8-3-2-4-9-20/h2-6,8-9,11-12,21-22H,7,10,13-19H2,1H3,(H,28,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53027910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).