N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide

C22H25N5O2 — CID 134351103

IUPACN-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide
SMILESCC(NC(=O)c1cccc2[nH]ccc12)C(=O)Nc1ccccc1N1CCNCC1
InChIInChI=1S/C22H25N5O2/c1-15(25-22(29)17-5-4-7-18-16(17)9-10-24-18)21(28)26-19-6-2-3-8-20(19)27-13-11-23-12-14-27/h2-10,15,23-24H,11-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyOSPSKQMJYVIXMS-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.33
Rot. Bonds5

About N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide

N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide (PubChem CID 134351103) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide
PubChem CID134351103
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide
SMILESCC(NC(=O)c1cccc2[nH]ccc12)C(=O)Nc1ccccc1N1CCNCC1
InChIInChI=1S/C22H25N5O2/c1-15(25-22(29)17-5-4-7-18-16(17)9-10-24-18)21(28)26-19-6-2-3-8-20(19)27-13-11-23-12-14-27/h2-10,15,23-24H,11-14H2,1H3,(H,25,29)(H,26,28)
InChIKeyOSPSKQMJYVIXMS-UHFFFAOYSA-N
XLogP2.33
TPSA89.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-(1H-indol-4-ylamino)-1-oxopropan-2-yl]benzamide
CID 134351169
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
2-bromo-N-[1-(5-fluoro-2-piperazin-1-ylanilino)-1-oxopropan-2-yl]benzamide
CID 134351187
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
CID 80998151
2-fluoro-N-[1-[5-fluoro-2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]anilino]-1-oxopropan-2-yl]benzamide
CID 156551079
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
N-(2-propylphenyl)-1H-indole-4-carboxamide
CID 61273584
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 97086507
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467273
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide (CID 134351103) is N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide is CC(NC(=O)c1cccc2[nH]ccc12)C(=O)Nc1ccccc1N1CCNCC1.
What is the InChIKey of N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide?
The InChIKey is OSPSKQMJYVIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(25-22(29)17-5-4-7-18-16(17)9-10-24-18)21(28)26-19-6-2-3-8-20(19)27-13-11-23-12-14-27/h2-10,15,23-24H,11-14H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide?
N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.33, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(2-piperazin-1-ylanilino)propan-2-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 134351103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).