4-pentoxy-N-piperidin-4-yl-N-propylbenzamide

C20H32N2O2 — CID 119825577

IUPAC4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCCCOc1ccc(C(=O)N(CCC)C2CCNCC2)cc1
InChIInChI=1S/C20H32N2O2/c1-3-5-6-16-24-19-9-7-17(8-10-19)20(23)22(15-4-2)18-11-13-21-14-12-18/h7-10,18,21H,3-6,11-16H2,1-2H3
InChIKeyGAQVUADPXWKZOU-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.86
Rot. Bonds9

About 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide

4-pentoxy-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119825577) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119825577
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCCCOc1ccc(C(=O)N(CCC)C2CCNCC2)cc1
InChIInChI=1S/C20H32N2O2/c1-3-5-6-16-24-19-9-7-17(8-10-19)20(23)22(15-4-2)18-11-13-21-14-12-18/h7-10,18,21H,3-6,11-16H2,1-2H3
InChIKeyGAQVUADPXWKZOU-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
N-piperidin-4-yl-2-(4-propoxyphenoxy)-N-propylacetamide;hydrochloride
CID 119823177
4-(4-acetylphenoxy)-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119530249
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119824236
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824388
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide (CID 119825577) is 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide is CCCCCOc1ccc(C(=O)N(CCC)C2CCNCC2)cc1.
What is the InChIKey of 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is GAQVUADPXWKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-5-6-16-24-19-9-7-17(8-10-19)20(23)22(15-4-2)18-11-13-21-14-12-18/h7-10,18,21H,3-6,11-16H2,1-2H3.
What are the key properties of 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide?
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 332.49 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119825577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).