4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride

C22H24ClF2N3O2 — CID 135312927

IUPAC4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCNCC3F)c3c(F)cccc32)cc1.Cl
InChIInChI=1S/C22H23F2N3O2.ClH/c1-29-15-7-5-14(6-8-15)12-27-13-16(21-17(23)3-2-4-20(21)27)22(28)26-19-9-10-25-11-18(19)24;/h2-8,13,18-19,25H,9-12H2,1H3,(H,26,28);1H
InChIKeyNUYHZCYOTLGWIL-UHFFFAOYSA-N
MW435.90 g/mol
LogP3.69
Rot. Bonds5

About 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride

4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride (PubChem CID 135312927) has the molecular formula C22H24ClF2N3O2 and a molecular weight of 435.90 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride
PubChem CID135312927
Molecular FormulaC22H24ClF2N3O2
Molecular Weight435.90 g/mol
Exact Mass435.15
IUPAC Name4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride
SMILESCOc1ccc(Cn2cc(C(=O)NC3CCNCC3F)c3c(F)cccc32)cc1.Cl
InChIInChI=1S/C22H23F2N3O2.ClH/c1-29-15-7-5-14(6-8-15)12-27-13-16(21-17(23)3-2-4-20(21)27)22(28)26-19-9-10-25-11-18(19)24;/h2-8,13,18-19,25H,9-12H2,1H3,(H,26,28);1H
InChIKeyNUYHZCYOTLGWIL-UHFFFAOYSA-N
XLogP3.69
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.90
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
CID 126674071
1-[(3,4-difluorophenyl)methyl]-4-fluoro-N-[(3R,4S)-3-fluoropiperidin-4-yl]indole-3-carboxamide
CID 135312849
4-fluoro-N-[(3R,4S)-3-fluoropiperidin-4-yl]-1-[(2-fluoro-4-pyridinyl)methyl]indole-3-carboxamide;hydrochloride
CID 135312824
4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(2-fluoro-4-pyridinyl)methyl]indole-3-carboxamide;hydrochloride
CID 126674049
4-fluoro-N-[(3S,4R)-3-fluoropiperidin-4-yl]-1-[(2-fluoro-4-pyridinyl)methyl]indole-3-carboxamide;hydrochloride
CID 126674105
4-fluoro-N-[(3R,4S)-3-fluoropiperidin-4-yl]-1-[(2-fluoro-4-pyridinyl)methyl]indole-3-carboxamide
CID 135312825
1-(1,3-benzothiazol-6-ylmethyl)-4-fluoro-N-[(3S)-3-fluoropiperidin-4-yl]indole-3-carboxamide
CID 126674029
5,8-difluoro-N-[(1S)-2-hydroxycyclopentyl]-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 155106723
N-cyclohexyl-4-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole-3-carboxamide
CID 144813115
N-cycloheptyl-4-fluoro-1-[[4-(methylcarbamoyl)phenyl]methyl]indole-3-carboxamide
CID 121482780
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
N-cycloheptyl-4-fluoro-1-[(4-propanoylphenyl)methyl]indole-3-carboxamide
CID 159266559

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride?
The IUPAC name of 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride (CID 135312927) is 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride is COc1ccc(Cn2cc(C(=O)NC3CCNCC3F)c3c(F)cccc32)cc1.Cl.
What is the InChIKey of 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride?
The InChIKey is NUYHZCYOTLGWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2.ClH/c1-29-15-7-5-14(6-8-15)12-27-13-16(21-17(23)3-2-4-20(21)27)22(28)26-19-9-10-25-11-18(19)24;/h2-8,13,18-19,25H,9-12H2,1H3,(H,26,28);1H.
What are the key properties of 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride?
4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride has a molecular weight of 435.90 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluoropiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 135312927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).