1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide

C22H24FN3O — CID 24953069

IUPAC1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide
SMILESCN1CCC(c2cccc3c2cc(C(N)=O)n3Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN3O/c1-25-10-8-16(9-11-25)18-6-3-7-20-19(18)13-21(22(24)27)26(20)14-15-4-2-5-17(23)12-15/h2-7,12-13,16H,8-11,14H2,1H3,(H2,24,27)
InChIKeyMHDNPXVDUSYGTH-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.74
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide

1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 24953069) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide
PubChem CID24953069
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide
SMILESCN1CCC(c2cccc3c2cc(C(N)=O)n3Cc2cccc(F)c2)CC1
InChIInChI=1S/C22H24FN3O/c1-25-10-8-16(9-11-25)18-6-3-7-20-19(18)13-21(22(24)27)26(20)14-15-4-2-5-17(23)12-15/h2-7,12-13,16H,8-11,14H2,1H3,(H2,24,27)
InChIKeyMHDNPXVDUSYGTH-UHFFFAOYSA-N
XLogP3.74
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride
CID 68588020
[4-[2-carbamoyl-1-[(3-fluorophenyl)methyl]indol-4-yl]piperidin-1-yl]-methylborinic acid
CID 59344916
4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 160918189
1-[(2-chlorophenyl)methyl]-4-piperidin-4-ylindole-2-carboxamide
CID 24952722
4-ethoxy-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 42803250
1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]indole-2-carboxamide
CID 178074227
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide
CID 71095957
5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carboxylic acid
CID 57431513
1-[[1-[(3-fluorophenyl)methyl]indol-2-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 50807561
1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxamide
CID 10946700
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide (CID 24953069) is 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide is CN1CCC(c2cccc3c2cc(C(N)=O)n3Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is MHDNPXVDUSYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-25-10-8-16(9-11-25)18-6-3-7-20-19(18)13-21(22(24)27)26(20)14-15-4-2-5-17(23)12-15/h2-7,12-13,16H,8-11,14H2,1H3,(H2,24,27).
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide?
1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 24953069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).