N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride

C22H26ClFN4O — CID 135324778

IUPACN-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride
SMILESNCCN(C(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1)C1CCNCC1.[Cl-].[H+]
InChIInChI=1S/C22H25FN4O.ClH/c23-18-5-3-15(4-6-18)16-1-2-17-14-21(26-20(17)13-16)22(28)27(12-9-24)19-7-10-25-11-8-19;/h1-6,13-14,19,25-26H,7-12,24H2;1H
InChIKeyMJUWOOFBBCWEGH-UHFFFAOYSA-N
MW416.93 g/mol
LogP0.24
Rot. Bonds5

About N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride

N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride (PubChem CID 135324778) has the molecular formula C22H26ClFN4O and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride
PubChem CID135324778
Molecular FormulaC22H26ClFN4O
Molecular Weight416.93 g/mol
Exact Mass416.18
IUPAC NameN-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride
SMILESNCCN(C(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1)C1CCNCC1.[Cl-].[H+]
InChIInChI=1S/C22H25FN4O.ClH/c23-18-5-3-15(4-6-18)16-1-2-17-14-21(26-20(17)13-16)22(28)27(12-9-24)19-7-10-25-11-8-19;/h1-6,13-14,19,25-26H,7-12,24H2;1H
InChIKeyMJUWOOFBBCWEGH-UHFFFAOYSA-N
XLogP0.24
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride?
The IUPAC name of N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride (CID 135324778) is N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride.
What is the SMILES notation for N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride?
The canonical SMILES for N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride is NCCN(C(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1)C1CCNCC1.[Cl-].[H+].
What is the InChIKey of N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride?
The InChIKey is MJUWOOFBBCWEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O.ClH/c23-18-5-3-15(4-6-18)16-1-2-17-14-21(26-20(17)13-16)22(28)27(12-9-24)19-7-10-25-11-8-19;/h1-6,13-14,19,25-26H,7-12,24H2;1H.
What are the key properties of N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride?
N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride has a molecular weight of 416.93 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-(4-fluorophenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide;hydron;chloride is sourced from PubChem (CID 135324778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).