N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide

C37H44N4O2 — CID 69078033

IUPACN-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide
SMILESCC(=O)N1CCC(NC(=O)Cn2c(-c3ccccc3)c(CN3CCC(c4c(C)cccc4C)CC3)c3ccccc32)CC1
InChIInChI=1S/C37H44N4O2/c1-26-10-9-11-27(2)36(26)29-16-20-39(21-17-29)24-33-32-14-7-8-15-34(32)41(37(33)30-12-5-4-6-13-30)25-35(43)38-31-18-22-40(23-19-31)28(3)42/h4-15,29,31H,16-25H2,1-3H3,(H,38,43)
InChIKeyHTTJKPPASGLFQT-UHFFFAOYSA-N
MW576.79 g/mol
LogP6.43
Rot. Bonds7

About N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide

N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide (PubChem CID 69078033) has the molecular formula C37H44N4O2 and a molecular weight of 576.79 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide
PubChem CID69078033
Molecular FormulaC37H44N4O2
Molecular Weight576.79 g/mol
Exact Mass576.35
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide
SMILESCC(=O)N1CCC(NC(=O)Cn2c(-c3ccccc3)c(CN3CCC(c4c(C)cccc4C)CC3)c3ccccc32)CC1
InChIInChI=1S/C37H44N4O2/c1-26-10-9-11-27(2)36(26)29-16-20-39(21-17-29)24-33-32-14-7-8-15-34(32)41(37(33)30-12-5-4-6-13-30)25-35(43)38-31-18-22-40(23-19-31)28(3)42/h4-15,29,31H,16-25H2,1-3H3,(H,38,43)
InChIKeyHTTJKPPASGLFQT-UHFFFAOYSA-N
XLogP6.43
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.79
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 69075774
2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 69076815
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(3-methylphenyl)methyl]-2-phenylindole;2,2,2-trifluoroacetic acid
CID 69437187
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenyl-1-[(4-phenylphenyl)methyl]indole;2,2,2-trifluoroacetic acid
CID 69434952
2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]-N-methylacetamide
CID 69071114
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole;2,2,2-trifluoroacetic acid
CID 87832532
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 69074674
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 11620349
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 69075153
N-(1-benzylpiperidin-4-yl)-4-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 24792813
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide (CID 69078033) is N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide is CC(=O)N1CCC(NC(=O)Cn2c(-c3ccccc3)c(CN3CCC(c4c(C)cccc4C)CC3)c3ccccc32)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide?
The InChIKey is HTTJKPPASGLFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N4O2/c1-26-10-9-11-27(2)36(26)29-16-20-39(21-17-29)24-33-32-14-7-8-15-34(32)41(37(33)30-12-5-4-6-13-30)25-35(43)38-31-18-22-40(23-19-31)28(3)42/h4-15,29,31H,16-25H2,1-3H3,(H,38,43).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide?
N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide has a molecular weight of 576.79 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-phenylindol-1-yl]acetamide is sourced from PubChem (CID 69078033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).