N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide

C24H30FN3O2 — CID 42849514

IUPACN-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CCC(C(=O)NCCN(C)C)CN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C24H30FN3O2/c1-17-6-4-7-18(14-17)22-11-10-20(23(29)26-12-13-27(2)3)16-28(22)24(30)19-8-5-9-21(25)15-19/h4-9,14-15,20,22H,10-13,16H2,1-3H3,(H,26,29)
InChIKeyBLXYGYAUWRLRAG-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 42849514) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID42849514
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CCC(C(=O)NCCN(C)C)CN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C24H30FN3O2/c1-17-6-4-7-18(14-17)22-11-10-20(23(29)26-12-13-27(2)3)16-28(22)24(30)19-8-5-9-21(25)15-19/h4-9,14-15,20,22H,10-13,16H2,1-3H3,(H,26,29)
InChIKeyBLXYGYAUWRLRAG-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide (CID 42849514) is N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide is Cc1cccc(C2CCC(C(=O)NCCN(C)C)CN2C(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is BLXYGYAUWRLRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-17-6-4-7-18(14-17)22-11-10-20(23(29)26-12-13-27(2)3)16-28(22)24(30)19-8-5-9-21(25)15-19/h4-9,14-15,20,22H,10-13,16H2,1-3H3,(H,26,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(3-fluorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42849514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).