N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide

C26H32FN5O — CID 45172593

IUPACN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide
SMILESCN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1cccc2nccnc12
InChIInChI=1S/C26H32FN5O/c1-30(2)15-16-32(26(33)22-9-5-11-24-25(22)29-13-12-28-24)18-20-7-6-14-31(17-20)19-21-8-3-4-10-23(21)27/h3-5,8-13,20H,6-7,14-19H2,1-2H3
InChIKeyZKLBUPZMENRKSA-UHFFFAOYSA-N
MW449.57 g/mol
LogP3.68
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide

N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide (PubChem CID 45172593) has the molecular formula C26H32FN5O and a molecular weight of 449.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide
PubChem CID45172593
Molecular FormulaC26H32FN5O
Molecular Weight449.57 g/mol
Exact Mass449.26
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide
SMILESCN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1cccc2nccnc12
InChIInChI=1S/C26H32FN5O/c1-30(2)15-16-32(26(33)22-9-5-11-24-25(22)29-13-12-28-24)18-20-7-6-14-31(17-20)19-21-8-3-4-10-23(21)27/h3-5,8-13,20H,6-7,14-19H2,1-2H3
InChIKeyZKLBUPZMENRKSA-UHFFFAOYSA-N
XLogP3.68
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]benzamide
CID 45211956
2-(2,6-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 42593150
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97281831
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 97271006
N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]propanamide
CID 45234068
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-methoxy-4-methylbenzamide
CID 42380736
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-phenylpropanamide
CID 42245149
N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
CID 42396155
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 42241946
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]pent-4-enamide
CID 45225577

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide (CID 45172593) is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide is CN(C)CCN(CC1CCCN(Cc2ccccc2F)C1)C(=O)c1cccc2nccnc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide?
The InChIKey is ZKLBUPZMENRKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O/c1-30(2)15-16-32(26(33)22-9-5-11-24-25(22)29-13-12-28-24)18-20-7-6-14-31(17-20)19-21-8-3-4-10-23(21)27/h3-5,8-13,20H,6-7,14-19H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide has a molecular weight of 449.57 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 45172593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).