4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide

C32H39FN4O4 — CID 11168992

IUPAC4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESC[C@H]1CN([C@@H](C)CN2CCC(NC(=O)c3cc4c(OCc5coc6cc(F)ccc56)cccc4[nH]3)CC2)CC[C@@H]1O
InChIInChI=1S/C32H39FN4O4/c1-20-16-37(13-10-29(20)38)21(2)17-36-11-8-24(9-12-36)34-32(39)28-15-26-27(35-28)4-3-5-30(26)40-18-22-19-41-31-14-23(33)6-7-25(22)31/h3-7,14-15,19-21,24,29,35,38H,8-13,16-18H2,1-2H3,(H,34,39)/t20-,21-,29-/m0/s1
InChIKeyUYALKRMCLGCTCE-WURXVLGASA-N
MW562.69 g/mol
LogP4.92
Rot. Bonds8

About 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide

4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 11168992) has the molecular formula C32H39FN4O4 and a molecular weight of 562.69 g/mol. Its IUPAC name is 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID11168992
Molecular FormulaC32H39FN4O4
Molecular Weight562.69 g/mol
Exact Mass562.30
IUPAC Name4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESC[C@H]1CN([C@@H](C)CN2CCC(NC(=O)c3cc4c(OCc5coc6cc(F)ccc56)cccc4[nH]3)CC2)CC[C@@H]1O
InChIInChI=1S/C32H39FN4O4/c1-20-16-37(13-10-29(20)38)21(2)17-36-11-8-24(9-12-36)34-32(39)28-15-26-27(35-28)4-3-5-30(26)40-18-22-19-41-31-14-23(33)6-7-25(22)31/h3-7,14-15,19-21,24,29,35,38H,8-13,16-18H2,1-2H3,(H,34,39)/t20-,21-,29-/m0/s1
InChIKeyUYALKRMCLGCTCE-WURXVLGASA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

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CID 51361007
CID 51361007
CID 145979832
CID 145979832
CID 145990020
CID 145990020
CID 145992563
CID 145992563
CID 145993546
CID 145993546
CID 171088045
CID 171088045
CID 177146717
CID 177146717
CID 177146721
CID 177146721

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide (CID 11168992) is 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide is C[C@H]1CN([C@@H](C)CN2CCC(NC(=O)c3cc4c(OCc5coc6cc(F)ccc56)cccc4[nH]3)CC2)CC[C@@H]1O.
What is the InChIKey of 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is UYALKRMCLGCTCE-WURXVLGASA-N. The full InChI is InChI=1S/C32H39FN4O4/c1-20-16-37(13-10-29(20)38)21(2)17-36-11-8-24(9-12-36)34-32(39)28-15-26-27(35-28)4-3-5-30(26)40-18-22-19-41-31-14-23(33)6-7-25(22)31/h3-7,14-15,19-21,24,29,35,38H,8-13,16-18H2,1-2H3,(H,34,39)/t20-,21-,29-/m0/s1.
What are the key properties of 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide?
4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 562.69 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-N-[1-[(2S)-2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]propyl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11168992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).