2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide

C23H23ClFN3O3 — CID 59429679

IUPAC2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(=O)N2CCC(O)(c3ccccc3F)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C23H23ClFN3O3/c1-26-21(29)14-28-13-17(16-7-6-15(24)12-20(16)28)22(30)27-10-8-23(31,9-11-27)18-4-2-3-5-19(18)25/h2-7,12-13,31H,8-11,14H2,1H3,(H,26,29)
InChIKeyBJHAGDLTZKPVFH-UHFFFAOYSA-N
MW443.91 g/mol
LogP3.30
Rot. Bonds4

About 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide

2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide (PubChem CID 59429679) has the molecular formula C23H23ClFN3O3 and a molecular weight of 443.91 g/mol. Its IUPAC name is 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
PubChem CID59429679
Molecular FormulaC23H23ClFN3O3
Molecular Weight443.91 g/mol
Exact Mass443.14
IUPAC Name2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(C(=O)N2CCC(O)(c3ccccc3F)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C23H23ClFN3O3/c1-26-21(29)14-28-13-17(16-7-6-15(24)12-20(16)28)22(30)27-10-8-23(31,9-11-27)18-4-2-3-5-19(18)25/h2-7,12-13,31H,8-11,14H2,1H3,(H,26,29)
InChIKeyBJHAGDLTZKPVFH-UHFFFAOYSA-N
XLogP3.30
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 24987657
N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide
CID 59429610
2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone
CID 15952413
2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetaldehyde;hydrochloride
CID 87470632
2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone
CID 141166813
2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 66744256
prop-1-en-2-yl 2-[6-chloro-3-(5-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]acetate
CID 89379489
2-[6-chloro-3-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-pyridin-2-ylethanone
CID 59657586
[1-[(2S)-2-aminopropyl]-6-chloroindol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 46898555
1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657615
2-[6-chloro-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]acetonitrile
CID 15953020
[6-chloro-1-[2-(diethylamino)ethyl]indol-3-yl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
CID 15952415

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide (CID 59429679) is 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(C(=O)N2CCC(O)(c3ccccc3F)CC2)c2ccc(Cl)cc21.
What is the InChIKey of 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide?
The InChIKey is BJHAGDLTZKPVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O3/c1-26-21(29)14-28-13-17(16-7-6-15(24)12-20(16)28)22(30)27-10-8-23(31,9-11-27)18-4-2-3-5-19(18)25/h2-7,12-13,31H,8-11,14H2,1H3,(H,26,29).
What are the key properties of 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide?
2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide has a molecular weight of 443.91 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide is sourced from PubChem (CID 59429679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).