2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone

C44H50Cl2N8O2 — CID 68795923

IUPAC2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(Nc2cc(Cl)cc3cc(-c4ccccc4)[nH]c23)CC1.NCC(=O)N1CCC(Nc2cc(Cl)cc3cc(-c4ccccc4)[nH]c23)CC1
InChIInChI=1S/C23H27ClN4O.C21H23ClN4O/c1-27(2)15-22(29)28-10-8-19(9-11-28)25-21-14-18(24)12-17-13-20(26-23(17)21)16-6-4-3-5-7-16;22-16-10-15-11-18(14-4-2-1-3-5-14)25-21(15)19(12-16)24-17-6-8-26(9-7-17)20(27)13-23/h3-7,12-14,19,25-26H,8-11,15H2,1-2H3;1-5,10-12,17,24-25H,6-9,13,23H2
InChIKeyCYXBDEUCXXDFNG-UHFFFAOYSA-N
MW793.84 g/mol
LogP8.30
Rot. Bonds9

About 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone

2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 68795923) has the molecular formula C44H50Cl2N8O2 and a molecular weight of 793.84 g/mol. Its IUPAC name is 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID68795923
Molecular FormulaC44H50Cl2N8O2
Molecular Weight793.84 g/mol
Exact Mass792.34
IUPAC Name2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(Nc2cc(Cl)cc3cc(-c4ccccc4)[nH]c23)CC1.NCC(=O)N1CCC(Nc2cc(Cl)cc3cc(-c4ccccc4)[nH]c23)CC1
InChIInChI=1S/C23H27ClN4O.C21H23ClN4O/c1-27(2)15-22(29)28-10-8-19(9-11-28)25-21-14-18(24)12-17-13-20(26-23(17)21)16-6-4-3-5-7-16;22-16-10-15-11-18(14-4-2-1-3-5-14)25-21(15)19(12-16)24-17-6-8-26(9-7-17)20(27)13-23/h3-7,12-14,19,25-26H,8-11,15H2,1-2H3;1-5,10-12,17,24-25H,6-9,13,23H2
InChIKeyCYXBDEUCXXDFNG-UHFFFAOYSA-N
XLogP8.30
TPSA125.52 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.84
LogP ≤ 58.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-N-cyclopentyl-2-phenyl-1H-indol-7-amine
CID 25214710
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-phenyl-1H-indol-7-amine;5-chloro-N-(1-methylpiperidin-4-yl)-2-phenyl-1H-indol-7-amine
CID 68761398
[(3S)-3-aminopyrrolidin-1-yl]-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methanone
CID 121433323
2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone
CID 67480098
5-fluoro-N-[1-(oxan-4-yl)piperidin-4-yl]-2-phenyl-1H-indol-7-amine
CID 25215212
3-[[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]methyl]benzoic acid
CID 174613965
2-amino-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892722
(3R)-1-[5-chloro-7-(oxan-4-ylamino)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid;[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 121452923
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate
CID 166442180
4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236466
1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one
CID 91301537

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone (CID 68795923) is 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCC(Nc2cc(Cl)cc3cc(-c4ccccc4)[nH]c23)CC1.NCC(=O)N1CCC(Nc2cc(Cl)cc3cc(-c4ccccc4)[nH]c23)CC1.
What is the InChIKey of 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is CYXBDEUCXXDFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O.C21H23ClN4O/c1-27(2)15-22(29)28-10-8-19(9-11-28)25-21-14-18(24)12-17-13-20(26-23(17)21)16-6-4-3-5-7-16;22-16-10-15-11-18(14-4-2-1-3-5-14)25-21(15)19(12-16)24-17-6-8-26(9-7-17)20(27)13-23/h3-7,12-14,19,25-26H,8-11,15H2,1-2H3;1-5,10-12,17,24-25H,6-9,13,23H2.
What are the key properties of 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone?
2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 793.84 g/mol, XLogP of 8.30, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]ethanone;1-[4-[(5-chloro-2-phenyl-1H-indol-7-yl)amino]piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 68795923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).