4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide

C18H28N2O3 — CID 119426765

IUPAC4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
SMILESCCCCOc1ccc(C(=O)NC2CCCNC2)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-3-5-11-23-16-9-8-14(12-17(16)22-4-2)18(21)20-15-7-6-10-19-13-15/h8-9,12,15,19H,3-7,10-11,13H2,1-2H3,(H,20,21)
InChIKeyDQYRDMWIUQRNLP-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.75
Rot. Bonds8

About 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide

4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide (PubChem CID 119426765) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
PubChem CID119426765
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
SMILESCCCCOc1ccc(C(=O)NC2CCCNC2)cc1OCC
InChIInChI=1S/C18H28N2O3/c1-3-5-11-23-16-9-8-14(12-17(16)22-4-2)18(21)20-15-7-6-10-19-13-15/h8-9,12,15,19H,3-7,10-11,13H2,1-2H3,(H,20,21)
InChIKeyDQYRDMWIUQRNLP-UHFFFAOYSA-N
XLogP2.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
CID 119425018
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
CID 119425199
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119450928

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide (CID 119426765) is 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide is CCCCOc1ccc(C(=O)NC2CCCNC2)cc1OCC.
What is the InChIKey of 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide?
The InChIKey is DQYRDMWIUQRNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-5-11-23-16-9-8-14(12-17(16)22-4-2)18(21)20-15-7-6-10-19-13-15/h8-9,12,15,19H,3-7,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide?
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119426765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).