N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide

C31H35N5O3 — CID 169275069

IUPACN-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4nc(OCCN(C)C)c(N5CCCCC5)nc4c3)cc2)cc1
InChIInChI=1S/C31H35N5O3/c1-35(2)19-20-39-31-29(36-17-5-4-6-18-36)33-28-21-25(13-16-27(28)34-31)32-30(37)24-9-7-22(8-10-24)23-11-14-26(38-3)15-12-23/h7-16,21H,4-6,17-20H2,1-3H3,(H,32,37)
InChIKeyXNTAYKHNGNEHDJ-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.49
Rot. Bonds9

About N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide

N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide (PubChem CID 169275069) has the molecular formula C31H35N5O3 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide
PubChem CID169275069
Molecular FormulaC31H35N5O3
Molecular Weight525.65 g/mol
Exact Mass525.27
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4nc(OCCN(C)C)c(N5CCCCC5)nc4c3)cc2)cc1
InChIInChI=1S/C31H35N5O3/c1-35(2)19-20-39-31-29(36-17-5-4-6-18-36)33-28-21-25(13-16-27(28)34-31)32-30(37)24-9-7-22(8-10-24)23-11-14-26(38-3)15-12-23/h7-16,21H,4-6,17-20H2,1-3H3,(H,32,37)
InChIKeyXNTAYKHNGNEHDJ-UHFFFAOYSA-N
XLogP5.49
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide
CID 169275058
4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275101
4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275094
4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide
CID 142709338
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
4-(2-chlorophenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275073
N-[3-[2-(diethylamino)ethoxy]-2-[2-(4-methoxy-2-methylphenyl)ethynyl]quinoxalin-6-yl]-4-methylbenzamide
CID 52941435
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
3-[4-[2-(dimethylamino)ethoxy]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;4-methoxy-N-methylbenzamide
CID 144858094
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide (CID 169275069) is N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide is COc1ccc(-c2ccc(C(=O)Nc3ccc4nc(OCCN(C)C)c(N5CCCCC5)nc4c3)cc2)cc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide?
The InChIKey is XNTAYKHNGNEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O3/c1-35(2)19-20-39-31-29(36-17-5-4-6-18-36)33-28-21-25(13-16-27(28)34-31)32-30(37)24-9-7-22(8-10-24)23-11-14-26(38-3)15-12-23/h7-16,21H,4-6,17-20H2,1-3H3,(H,32,37).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide?
N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide has a molecular weight of 525.65 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 169275069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).