4-pentoxy-N-(piperidin-3-ylmethyl)benzamide

C18H28N2O2 — CID 119463502

IUPAC4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
SMILESCCCCCOc1ccc(C(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-3-4-12-22-17-9-7-16(8-10-17)18(21)20-14-15-6-5-11-19-13-15/h7-10,15,19H,2-6,11-14H2,1H3,(H,20,21)
InChIKeyPJGGEMNKPQNRCC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.98
Rot. Bonds8

About 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide

4-pentoxy-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119463502) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119463502
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
SMILESCCCCCOc1ccc(C(=O)NCC2CCCNC2)cc1
InChIInChI=1S/C18H28N2O2/c1-2-3-4-12-22-17-9-7-16(8-10-17)18(21)20-14-15-6-5-11-19-13-15/h7-10,15,19H,2-6,11-14H2,1H3,(H,20,21)
InChIKeyPJGGEMNKPQNRCC-UHFFFAOYSA-N
XLogP2.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461774
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
(4-hexoxyphenyl)-piperidin-3-ylmethanone
CID 82550171
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 21361598
4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461806
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-[3-oxo-3-(piperidin-3-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119461600

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide (CID 119463502) is 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide is CCCCCOc1ccc(C(=O)NCC2CCCNC2)cc1.
What is the InChIKey of 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is PJGGEMNKPQNRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-3-4-12-22-17-9-7-16(8-10-17)18(21)20-14-15-6-5-11-19-13-15/h7-10,15,19H,2-6,11-14H2,1H3,(H,20,21).
What are the key properties of 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide?
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 304.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119463502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).