N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide

C26H34N2O2 — CID 59674470

IUPACN,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(OC)cc32)cc1
InChIInChI=1S/C26H34N2O2/c1-4-28(5-2)25(29)20-8-6-19(7-9-20)24-18-26(12-14-27-15-13-26)17-21-10-11-22(30-3)16-23(21)24/h6-11,16,24,27H,4-5,12-15,17-18H2,1-3H3
InChIKeyVGRBSEQSHPAJSW-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.63
Rot. Bonds5

About N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide

N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide (PubChem CID 59674470) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide
PubChem CID59674470
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide
SMILESCCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(OC)cc32)cc1
InChIInChI=1S/C26H34N2O2/c1-4-28(5-2)25(29)20-8-6-19(7-9-20)24-18-26(12-14-27-15-13-26)17-21-10-11-22(30-3)16-23(21)24/h6-11,16,24,27H,4-5,12-15,17-18H2,1-3H3
InChIKeyVGRBSEQSHPAJSW-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.63
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-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide?
The IUPAC name of N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide (CID 59674470) is N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide.
What is the SMILES notation for N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide?
The canonical SMILES for N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide is CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccc(OC)cc32)cc1.
What is the InChIKey of N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide?
The InChIKey is VGRBSEQSHPAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-4-28(5-2)25(29)20-8-6-19(7-9-20)24-18-26(12-14-27-15-13-26)17-21-10-11-22(30-3)16-23(21)24/h6-11,16,24,27H,4-5,12-15,17-18H2,1-3H3.
What are the key properties of N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide?
N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide has a molecular weight of 406.57 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(7-methoxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-yl)benzamide is sourced from PubChem (CID 59674470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).