4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

C32H39FN4O4 — CID 11456167

IUPAC4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESC[C@@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6ccc(F)cc56)cccc4[nH]3)CC2)C[C@H](C)C1O
InChIInChI=1S/C32H39FN4O4/c1-20-16-37(17-21(2)31(20)38)13-12-36-10-8-24(9-11-36)34-32(39)28-15-26-27(35-28)4-3-5-29(26)40-18-22-19-41-30-7-6-23(33)14-25(22)30/h3-7,14-15,19-21,24,31,35,38H,8-13,16-18H2,1-2H3,(H,34,39)/t20-,21+,31?
InChIKeyJDGWHEWECHCOHH-NGFHHJHWSA-N
MW562.69 g/mol
LogP4.78
Rot. Bonds8

About 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide

4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 11456167) has the molecular formula C32H39FN4O4 and a molecular weight of 562.69 g/mol. Its IUPAC name is 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID11456167
Molecular FormulaC32H39FN4O4
Molecular Weight562.69 g/mol
Exact Mass562.30
IUPAC Name4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESC[C@@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6ccc(F)cc56)cccc4[nH]3)CC2)C[C@H](C)C1O
InChIInChI=1S/C32H39FN4O4/c1-20-16-37(17-21(2)31(20)38)13-12-36-10-8-24(9-11-36)34-32(39)28-15-26-27(35-28)4-3-5-29(26)40-18-22-19-41-30-7-6-23(33)14-25(22)30/h3-7,14-15,19-21,24,31,35,38H,8-13,16-18H2,1-2H3,(H,34,39)/t20-,21+,31?
InChIKeyJDGWHEWECHCOHH-NGFHHJHWSA-N
XLogP4.78
TPSA93.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.69
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
CID 138105970
(6S)-1,6-dibenzyl-4-[4-(cyclopropylmethoxy)-1H-indole-2-carbonyl]piperazin-2-one
CID 122600588
(6S)-1,6-dibenzyl-4-(4-propan-2-yloxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600589
5-(benzyloxy)-3,4-dihydro-2H-pyrido[3,4-b]indol-1(9H)-one
CID 44431057
N-((2S,3R,12bS)-3-((S)-1-hydroxyethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-N-methylfuran-2-carboxamide
CID 51361007
N-benzyl-3-methyl-4-piperidin-4-yloxy-1H-indole-2-carboxamide;hydrochloride
CID 145979832
3-methyl-N-(2-phenylethyl)-4-piperidin-4-yloxy-1H-indole-2-carboxamide;hydrochloride
CID 145990020
N-benzyl-4-piperidin-4-yloxy-1H-indole-2-carboxamide;hydrochloride
CID 145992563
N-(2-phenylethyl)-4-piperidin-4-yloxy-1H-indole-2-carboxamide;hydrochloride
CID 145993546
(1R,2S,5S)-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-(4-propan-2-yloxy-1H-indole-2-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 171088045
N-[(2S)-3-(3-fluorophenyl)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[2,3,5,6-tetrafluoro-4-(1-hydroxyethyl)phenoxy]butan-2-yl]amino]propan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 177146717
N-[(2S)-3-(3-fluorophenyl)-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]butan-2-yl]amino]propan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 177146721

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide (CID 11456167) is 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is C[C@@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6ccc(F)cc56)cccc4[nH]3)CC2)C[C@H](C)C1O.
What is the InChIKey of 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is JDGWHEWECHCOHH-NGFHHJHWSA-N. The full InChI is InChI=1S/C32H39FN4O4/c1-20-16-37(17-21(2)31(20)38)13-12-36-10-8-24(9-11-36)34-32(39)28-15-26-27(35-28)4-3-5-29(26)40-18-22-19-41-30-7-6-23(33)14-25(22)30/h3-7,14-15,19-21,24,31,35,38H,8-13,16-18H2,1-2H3,(H,34,39)/t20-,21+,31?.
What are the key properties of 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide?
4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 562.69 g/mol, XLogP of 4.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[2-[(3S,5R)-4-hydroxy-3,5-dimethylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11456167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).