N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide

C26H31N3O — CID 10525105

IUPACN,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc3ccccc23)N2CCNCC2)cc1
InChIInChI=1S/C26H31N3O/c1-3-28(4-2)26(30)22-14-12-21(13-15-22)25(29-18-16-27-17-19-29)24-11-7-9-20-8-5-6-10-23(20)24/h5-15,25,27H,3-4,16-19H2,1-2H3
InChIKeyGDQOGZJEMVCJCK-UHFFFAOYSA-N
MW401.55 g/mol
LogP4.32
Rot. Bonds6

About N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide

N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide (PubChem CID 10525105) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide
PubChem CID10525105
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC NameN,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc3ccccc23)N2CCNCC2)cc1
InChIInChI=1S/C26H31N3O/c1-3-28(4-2)26(30)22-14-12-21(13-15-22)25(29-18-16-27-17-19-29)24-11-7-9-20-8-5-6-10-23(20)24/h5-15,25,27H,3-4,16-19H2,1-2H3
InChIKeyGDQOGZJEMVCJCK-UHFFFAOYSA-N
XLogP4.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide (CID 10525105) is N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2cccc3ccccc23)N2CCNCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide?
The InChIKey is GDQOGZJEMVCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-3-28(4-2)26(30)22-14-12-21(13-15-22)25(29-18-16-27-17-19-29)24-11-7-9-20-8-5-6-10-23(20)24/h5-15,25,27H,3-4,16-19H2,1-2H3.
What are the key properties of N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide?
N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide has a molecular weight of 401.55 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[naphthalen-1-yl(piperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 10525105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).