N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine

C23H32FN3O2 — CID 168915293

IUPACN-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine
SMILESCOc1ccc(C(=O)NCCN(C)C)cc1.Fc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H18N2O2.C11H14FN/c1-14(2)9-8-13-12(15)10-4-6-11(16-3)7-5-10;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h4-7H,8-9H2,1-3H3,(H,13,15);1-4,10,13H,5-8H2
InChIKeyXTIBANGWSCPXOJ-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine

N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine (PubChem CID 168915293) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine
PubChem CID168915293
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine
SMILESCOc1ccc(C(=O)NCCN(C)C)cc1.Fc1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H18N2O2.C11H14FN/c1-14(2)9-8-13-12(15)10-4-6-11(16-3)7-5-10;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h4-7H,8-9H2,1-3H3,(H,13,15);1-4,10,13H,5-8H2
InChIKeyXTIBANGWSCPXOJ-UHFFFAOYSA-N
XLogP3.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine (CID 168915293) is N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine is COc1ccc(C(=O)NCCN(C)C)cc1.Fc1ccc(C2CCNCC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine?
The InChIKey is XTIBANGWSCPXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C11H14FN/c1-14(2)9-8-13-12(15)10-4-6-11(16-3)7-5-10;12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h4-7H,8-9H2,1-3H3,(H,13,15);1-4,10,13H,5-8H2.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine?
N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine has a molecular weight of 401.53 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 168915293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).