2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide

C62H70F3N11O4 — CID 158498983

IUPAC2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
SMILESCCCN1CCC(c2cc3c(C(N)=O)cccc3[nH]2)CC1.CN1CCC(c2cc3c(C(N)=O)cccc3[nH]2)CC1.NC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc12.NC(=O)c1cccc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C17H23N3O.C16H11F3N2O.C15H19N3O.C14H17N3O/c1-2-8-20-9-6-12(7-10-20)16-11-14-13(17(18)21)4-3-5-15(14)19-16;17-16(18,19)10-4-1-3-9(7-10)14-8-12-11(15(20)22)5-2-6-13(12)21-14;1-18-7-5-10(6-8-18)14-9-12-11(15(16)19)3-2-4-13(12)17-14;15-14(18)10-2-1-3-12-11(10)8-13(17-12)9-4-6-16-7-5-9/h3-5,11-12,19H,2,6-10H2,1H3,(H2,18,21);1-8,21H,(H2,20,22);2-4,9-10,17H,5-8H2,1H3,(H2,16,19);1-3,8-9,16-17H,4-7H2,(H2,15,18)
InChIKeyHJQPFSDXWFQJOS-UHFFFAOYSA-N
MW1090.31 g/mol
LogP10.62
Rot. Bonds10

About 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide

2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide (PubChem CID 158498983) has the molecular formula C62H70F3N11O4 and a molecular weight of 1090.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
PubChem CID158498983
Molecular FormulaC62H70F3N11O4
Molecular Weight1090.31 g/mol
Exact Mass1089.56
IUPAC Name2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
SMILESCCCN1CCC(c2cc3c(C(N)=O)cccc3[nH]2)CC1.CN1CCC(c2cc3c(C(N)=O)cccc3[nH]2)CC1.NC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc12.NC(=O)c1cccc2[nH]c(C3CCNCC3)cc12
InChIInChI=1S/C17H23N3O.C16H11F3N2O.C15H19N3O.C14H17N3O/c1-2-8-20-9-6-12(7-10-20)16-11-14-13(17(18)21)4-3-5-15(14)19-16;17-16(18,19)10-4-1-3-9(7-10)14-8-12-11(15(20)22)5-2-6-13(12)21-14;1-18-7-5-10(6-8-18)14-9-12-11(15(16)19)3-2-4-13(12)17-14;15-14(18)10-2-1-3-12-11(10)8-13(17-12)9-4-6-16-7-5-9/h3-5,11-12,19H,2,6-10H2,1H3,(H2,18,21);1-8,21H,(H2,20,22);2-4,9-10,17H,5-8H2,1H3,(H2,16,19);1-3,8-9,16-17H,4-7H2,(H2,15,18)
InChIKeyHJQPFSDXWFQJOS-UHFFFAOYSA-N
XLogP10.62
TPSA254.03 Ų
H-Bond Donors9
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001090.31
LogP ≤ 510.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 107

Analyze 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[3-[1-[[3-[[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881687
2-[2-[2-[3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indol-2-yl]-1H-indol-3-yl]ethyl]isoindole-1,3-dione
CID 45280995
N-[5-[4-aminobutyl(3-aminopropyl)amino]-5-oxopentyl]-4-[15-[4-[[5-[4-aminobutyl(3-aminopropyl)amino]-5-oxopentyl]carbamoyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]benzamide
CID 136036215
N-[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]-4-[15-[4-[[5-[3-aminopropyl-[4-(3-aminopropylamino)butyl]amino]-5-oxopentyl]carbamoyl]phenyl]-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin-5-yl]benzamide
CID 136036216
Pamiparib hydrate
CID 135566123
9-Benzoyl-2-[4-[4-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)anilino]phenyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
CID 399652
1-methyl-3-[2-[5-[3-[1-methyl-2,5-dioxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrol-3-yl]-1H-indol-2-yl]pentyl]-1H-indol-3-yl]-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrole-2,5-dione
CID 10653513
1-[5-(3-benzylpyrrolidin-3-yl)-1H-indol-2-yl]-2,2,2-trifluoroethanone;1-[5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indol-2-yl]-2,2,2-trifluoroethanone
CID 87450934
[3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1H-indol-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 87681970
(2R)-6-amino-N-[4-[bis[4-[[(2R)-6-amino-2-[[2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]hexanamide;hydrochloride
CID 87970924
CID 89411485
CID 89411485
(2S)-6-amino-N-[4-[bis[4-[[(2S)-6-amino-2-[[2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]hexanoyl]amino]phenyl]methyl]phenyl]-2-[[2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]hexanamide
CID 90848934

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide (CID 158498983) is 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide is CCCN1CCC(c2cc3c(C(N)=O)cccc3[nH]2)CC1.CN1CCC(c2cc3c(C(N)=O)cccc3[nH]2)CC1.NC(=O)c1cccc2[nH]c(-c3cccc(C(F)(F)F)c3)cc12.NC(=O)c1cccc2[nH]c(C3CCNCC3)cc12.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The InChIKey is HJQPFSDXWFQJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C16H11F3N2O.C15H19N3O.C14H17N3O/c1-2-8-20-9-6-12(7-10-20)16-11-14-13(17(18)21)4-3-5-15(14)19-16;17-16(18,19)10-4-1-3-9(7-10)14-8-12-11(15(20)22)5-2-6-13(12)21-14;1-18-7-5-10(6-8-18)14-9-12-11(15(16)19)3-2-4-13(12)17-14;15-14(18)10-2-1-3-12-11(10)8-13(17-12)9-4-6-16-7-5-9/h3-5,11-12,19H,2,6-10H2,1H3,(H2,18,21);1-8,21H,(H2,20,22);2-4,9-10,17H,5-8H2,1H3,(H2,16,19);1-3,8-9,16-17H,4-7H2,(H2,15,18).
What are the key properties of 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide has a molecular weight of 1090.31 g/mol, XLogP of 10.62, 10 rotatable bonds, 9 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1H-indole-4-carboxamide;2-piperidin-4-yl-1H-indole-4-carboxamide;2-(1-propylpiperidin-4-yl)-1H-indole-4-carboxamide;2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 158498983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).