4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide

C26H31N3O2 — CID 23446282

IUPAC4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2cc(C)cc(C)c2)CC1)c1cc2ccccc2cc1OC
InChIInChI=1S/C26H31N3O2/c1-5-29(24-17-21-8-6-7-9-22(21)18-25(24)31-4)26(30)28-12-10-27(11-13-28)23-15-19(2)14-20(3)16-23/h6-9,14-18H,5,10-13H2,1-4H3
InChIKeyBBVWHUSSPFTGRZ-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.23
Rot. Bonds4

About 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide

4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide (PubChem CID 23446282) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide
PubChem CID23446282
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(c2cc(C)cc(C)c2)CC1)c1cc2ccccc2cc1OC
InChIInChI=1S/C26H31N3O2/c1-5-29(24-17-21-8-6-7-9-22(21)18-25(24)31-4)26(30)28-12-10-27(11-13-28)23-15-19(2)14-20(3)16-23/h6-9,14-18H,5,10-13H2,1-4H3
InChIKeyBBVWHUSSPFTGRZ-UHFFFAOYSA-N
XLogP5.23
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide
CID 19357201
N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
CID 108990100
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
1-[4-(3-methoxynaphthalen-2-yl)piperazin-1-yl]propan-1-one
CID 176932959
ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate
CID 19357076
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173166
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 91601033
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 38124429
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
S-(2-methoxy-4,5-dimethylanilino) 4-(3,5-dimethylphenyl)piperazine-1-carbothioate
CID 19357116

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide (CID 23446282) is 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide is CCN(C(=O)N1CCN(c2cc(C)cc(C)c2)CC1)c1cc2ccccc2cc1OC.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide?
The InChIKey is BBVWHUSSPFTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-5-29(24-17-21-8-6-7-9-22(21)18-25(24)31-4)26(30)28-12-10-27(11-13-28)23-15-19(2)14-20(3)16-23/h6-9,14-18H,5,10-13H2,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 23446282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).