N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

C21H26N4O4 — CID 155255114

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H26N4O4/c26-18-8-4-3-7-16(18)23-19(27)21(29)25-11-9-24(10-12-25)20(28)17-13-14-5-1-2-6-15(14)22-17/h1-2,5-6,13,16,18,22,26H,3-4,7-12H2,(H,23,27)/t16-,18-/m0/s1
InChIKeyILUMIHIKJNNIGT-WMZOPIPTSA-N
MW398.46 g/mol
LogP0.87
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 155255114) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID155255114
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C21H26N4O4/c26-18-8-4-3-7-16(18)23-19(27)21(29)25-11-9-24(10-12-25)20(28)17-13-14-5-1-2-6-15(14)22-17/h1-2,5-6,13,16,18,22,26H,3-4,7-12H2,(H,23,27)/t16-,18-/m0/s1
InChIKeyILUMIHIKJNNIGT-WMZOPIPTSA-N
XLogP0.87
TPSA105.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxo-N-(2-phenylethyl)acetamide
CID 29134828
N-[2-(4-hydroxyphenyl)ethyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 71946894
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methylbutyl)-2-oxoacetamide
CID 29130725
[4-(2-cyclohexylethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 22660610
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-oxoacetamide
CID 71946896
2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 29129307

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (CID 155255114) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is O=C(N[C@H]1CCCC[C@@H]1O)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is ILUMIHIKJNNIGT-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-18-8-4-3-7-16(18)23-19(27)21(29)25-11-9-24(10-12-25)20(28)17-13-14-5-1-2-6-15(14)22-17/h1-2,5-6,13,16,18,22,26H,3-4,7-12H2,(H,23,27)/t16-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 398.46 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 155255114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).