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

C22H25ClFN3O — CID 68588020

IUPAC1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride
SMILESCN1CCC(c2cccc3c2cc(C(N)=O)n3Cc2cccc(F)c2)CC1.Cl
InChIInChI=1S/C22H24FN3O.ClH/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);1H
InChIKeyCPNBAHRNZFHTQP-UHFFFAOYSA-N
MW401.91 g/mol
LogP4.16
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride (PubChem CID 68588020) has the molecular formula C22H25ClFN3O and a molecular weight of 401.91 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride
PubChem CID68588020
Molecular FormulaC22H25ClFN3O
Molecular Weight401.91 g/mol
Exact Mass401.17
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride
SMILESCN1CCC(c2cccc3c2cc(C(N)=O)n3Cc2cccc(F)c2)CC1.Cl
InChIInChI=1S/C22H24FN3O.ClH/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);1H
InChIKeyCPNBAHRNZFHTQP-UHFFFAOYSA-N
XLogP4.16
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride (CID 68588020) is 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride is CN1CCC(c2cccc3c2cc(C(N)=O)n3Cc2cccc(F)c2)CC1.Cl.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride?
The InChIKey is CPNBAHRNZFHTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O.ClH/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);1H.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride?
1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride has a molecular weight of 401.91 g/mol, XLogP of 4.16, 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;hydrochloride is sourced from PubChem (CID 68588020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).