2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide

C25H28F3N5O3 — CID 143152840

IUPAC2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
SMILESCc1ccc2c(CN3CCC(NC(=O)CNC(=O)c4cc(OC(F)(F)F)ccc4N)CC3)c[nH]c2c1
InChIInChI=1S/C25H28F3N5O3/c1-15-2-4-19-16(12-30-22(19)10-15)14-33-8-6-17(7-9-33)32-23(34)13-31-24(35)20-11-18(3-5-21(20)29)36-25(26,27)28/h2-5,10-12,17,30H,6-9,13-14,29H2,1H3,(H,31,35)(H,32,34)
InChIKeySONXOYDPIZCUGR-UHFFFAOYSA-N
MW503.53 g/mol
LogP3.47
Rot. Bonds7

About 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide

2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide (PubChem CID 143152840) has the molecular formula C25H28F3N5O3 and a molecular weight of 503.53 g/mol. Its IUPAC name is 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
PubChem CID143152840
Molecular FormulaC25H28F3N5O3
Molecular Weight503.53 g/mol
Exact Mass503.21
IUPAC Name2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
SMILESCc1ccc2c(CN3CCC(NC(=O)CNC(=O)c4cc(OC(F)(F)F)ccc4N)CC3)c[nH]c2c1
InChIInChI=1S/C25H28F3N5O3/c1-15-2-4-19-16(12-30-22(19)10-15)14-33-8-6-17(7-9-33)32-23(34)13-31-24(35)20-11-18(3-5-21(20)29)36-25(26,27)28/h2-5,10-12,17,30H,6-9,13-14,29H2,1H3,(H,31,35)(H,32,34)
InChIKeySONXOYDPIZCUGR-UHFFFAOYSA-N
XLogP3.47
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Del-22379
CID 11224574
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
N-(6-phenoxypyridin-3-yl)-1H-indole-3-carboxamide
CID 44250365
2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid
CID 164946664
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506242
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506330
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 52935926

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide?
The IUPAC name of 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide (CID 143152840) is 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide?
The canonical SMILES for 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide is Cc1ccc2c(CN3CCC(NC(=O)CNC(=O)c4cc(OC(F)(F)F)ccc4N)CC3)c[nH]c2c1.
What is the InChIKey of 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide?
The InChIKey is SONXOYDPIZCUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O3/c1-15-2-4-19-16(12-30-22(19)10-15)14-33-8-6-17(7-9-33)32-23(34)13-31-24(35)20-11-18(3-5-21(20)29)36-25(26,27)28/h2-5,10-12,17,30H,6-9,13-14,29H2,1H3,(H,31,35)(H,32,34).
What are the key properties of 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide?
2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide has a molecular weight of 503.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[1-[(6-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]amino]-2-oxoethyl]-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 143152840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).