N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide

C28H33N5O — CID 142594665

IUPACN-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)c5nccnc5c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C28H33N5O/c1-17(2)26-22-14-20(19-7-11-33(12-8-19)16-25(34)29-4)5-6-23(22)32-28(26)21-13-18(3)27-24(15-21)30-9-10-31-27/h5-6,9-10,13-15,17,19,32H,7-8,11-12,16H2,1-4H3,(H,29,34)
InChIKeyMTJKNZHLCCMQKL-UHFFFAOYSA-N
MW455.61 g/mol
LogP5.14
Rot. Bonds5

About N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide

N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide (PubChem CID 142594665) has the molecular formula C28H33N5O and a molecular weight of 455.61 g/mol. Its IUPAC name is N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
PubChem CID142594665
Molecular FormulaC28H33N5O
Molecular Weight455.61 g/mol
Exact Mass455.27
IUPAC NameN-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)c5nccnc5c4)c(C(C)C)c3c2)CC1
InChIInChI=1S/C28H33N5O/c1-17(2)26-22-14-20(19-7-11-33(12-8-19)16-25(34)29-4)5-6-23(22)32-28(26)21-13-18(3)27-24(15-21)30-9-10-31-27/h5-6,9-10,13-15,17,19,32H,7-8,11-12,16H2,1-4H3,(H,29,34)
InChIKeyMTJKNZHLCCMQKL-UHFFFAOYSA-N
XLogP5.14
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.61
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594622
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxybutyl)acetamide
CID 134329458
N-(2-hydroxyethyl)-N-methyl-2-[8-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 155796975
2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594148
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 158763846
2-[4-[2-[(2Z)-1-amino-2-(aminomethylidene)-4-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 142594328
7-methyl-5-[5-[1-(2-oxobutyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3H-1,3-benzoxazol-2-one
CID 160613648
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 134329526
5,5,5-trifluoro-1-[4-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)piperidin-1-yl]pentan-2-one
CID 157140603

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide (CID 142594665) is N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(c2ccc3[nH]c(-c4cc(C)c5nccnc5c4)c(C(C)C)c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is MTJKNZHLCCMQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O/c1-17(2)26-22-14-20(19-7-11-33(12-8-19)16-25(34)29-4)5-6-23(22)32-28(26)21-13-18(3)27-24(15-21)30-9-10-31-27/h5-6,9-10,13-15,17,19,32H,7-8,11-12,16H2,1-4H3,(H,29,34).
What are the key properties of N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide?
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 455.61 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 142594665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).