2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide

C23H24FN3O2 — CID 142648560

IUPAC2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)c(C(=O)CF)c2c1
InChIInChI=1S/C23H24FN3O2/c24-14-20(28)21-18-13-17(22(25)29)6-7-19(18)26-23(21)27-10-8-16(9-11-27)12-15-4-2-1-3-5-15/h1-7,13,16,26H,8-12,14H2,(H2,25,29)
InChIKeyACHFOBUZODMRTJ-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide

2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide (PubChem CID 142648560) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide
PubChem CID142648560
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)c(C(=O)CF)c2c1
InChIInChI=1S/C23H24FN3O2/c24-14-20(28)21-18-13-17(22(25)29)6-7-19(18)26-23(21)27-10-8-16(9-11-27)12-15-4-2-1-3-5-15/h1-7,13,16,26H,8-12,14H2,(H2,25,29)
InChIKeyACHFOBUZODMRTJ-UHFFFAOYSA-N
XLogP3.88
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide
CID 444980
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-pyridyl)-1H-indole-7-carboxamide
CID 507860
2-[[4-(4-Fluorobenzoyl)piperidin-1-yl]methyl]-1,2,3,9-tetrahydrocarbazol-4-one
CID 10069784
3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)-2-oxo-1,2-dihydroquinoline-6-carboxamide
CID 44419929
2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1,2-dihydroquinoline-6-carboxamide
CID 44419941
3-(4-methylpiperazin-1-yl)-11-oxo-5-propan-2-yl-2-propyl-6H-indolo[2,3-b]quinoline-8-carbonitrile
CID 118342529
1-(2-phenyl-1H-indol-3-yl)-2-piperidino-1,2-ethanedione
CID 3707234
1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide
CID 4784849
1-[4-[4-(2,3-dimethyl-1H-indole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 4787043
2-(3-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-2-methyl-1H-indol-5-yl)-N,N-dimethyl-2-oxoacetamide
CID 9868339
4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide
CID 10401837
8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582568

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide (CID 142648560) is 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)c(C(=O)CF)c2c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide?
The InChIKey is ACHFOBUZODMRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c24-14-20(28)21-18-13-17(22(25)29)6-7-19(18)26-23(21)27-10-8-16(9-11-27)12-15-4-2-1-3-5-15/h1-7,13,16,26H,8-12,14H2,(H2,25,29).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide?
2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-3-(2-fluoroacetyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 142648560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).