N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide

C27H33FN6O2 — CID 53062561

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCn1c(=O)c(N2CCC(C(=O)NCCN3CCN(c4ccccc4F)CC3)CC2)nc2ccccc21
InChIInChI=1S/C27H33FN6O2/c1-31-24-9-5-3-7-22(24)30-25(27(31)36)34-13-10-20(11-14-34)26(35)29-12-15-32-16-18-33(19-17-32)23-8-4-2-6-21(23)28/h2-9,20H,10-19H2,1H3,(H,29,35)
InChIKeyGVUPXKJHKHITPE-UHFFFAOYSA-N
MW492.60 g/mol
LogP2.23
Rot. Bonds6

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide (PubChem CID 53062561) has the molecular formula C27H33FN6O2 and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
PubChem CID53062561
Molecular FormulaC27H33FN6O2
Molecular Weight492.60 g/mol
Exact Mass492.26
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
SMILESCn1c(=O)c(N2CCC(C(=O)NCCN3CCN(c4ccccc4F)CC3)CC2)nc2ccccc21
InChIInChI=1S/C27H33FN6O2/c1-31-24-9-5-3-7-22(24)30-25(27(31)36)34-13-10-20(11-14-34)26(35)29-12-15-32-16-18-33(19-17-32)23-8-4-2-6-21(23)28/h2-9,20H,10-19H2,1H3,(H,29,35)
InChIKeyGVUPXKJHKHITPE-UHFFFAOYSA-N
XLogP2.23
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444209
N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522853
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 50781359
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3239285
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522846
(3R)-1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]piperidine-3-carboxamide
CID 95086109
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide (CID 53062561) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide is Cn1c(=O)c(N2CCC(C(=O)NCCN3CCN(c4ccccc4F)CC3)CC2)nc2ccccc21.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?
The InChIKey is GVUPXKJHKHITPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-31-24-9-5-3-7-22(24)30-25(27(31)36)34-13-10-20(11-14-34)26(35)29-12-15-32-16-18-33(19-17-32)23-8-4-2-6-21(23)28/h2-9,20H,10-19H2,1H3,(H,29,35).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53062561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).