N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide

C23H36N2O3 — CID 102557641

IUPACN-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(C)C2CCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C23H36N2O3/c1-3-4-5-15-28-22-8-6-20(7-9-22)23(26)24(2)21-10-13-25(14-11-21)17-19-12-16-27-18-19/h6-9,19,21H,3-5,10-18H2,1-2H3
InChIKeyIDTKKVJBQPLPMV-UHFFFAOYSA-N
MW388.55 g/mol
LogP3.83
Rot. Bonds9

About N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide

N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide (PubChem CID 102557641) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide
PubChem CID102557641
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC NameN-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)N(C)C2CCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C23H36N2O3/c1-3-4-5-15-28-22-8-6-20(7-9-22)23(26)24(2)21-10-13-25(14-11-21)17-19-12-16-27-18-19/h6-9,19,21H,3-5,10-18H2,1-2H3
InChIKeyIDTKKVJBQPLPMV-UHFFFAOYSA-N
XLogP3.83
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
N-(azetidin-3-yl)-4-butoxy-N-methylbenzamide
CID 66185454
N-[4-[(3aR,6aR)-5-(oxolan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-3-fluorophenyl]-4-butoxy-N-methylbenzamide
CID 59558154
CID 102302475
CID 102302475
4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide
CID 75454377
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
4-ethoxy-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)benzamide
CID 136538206
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
2-[methyl-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]-1-(4-methylpiperidin-1-yl)ethanone
CID 95901062
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide
CID 99814284
4-ethoxy-N-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 51098454

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide?
The IUPAC name of N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide (CID 102557641) is N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide.
What is the SMILES notation for N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide?
The canonical SMILES for N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)N(C)C2CCN(CC3CCOC3)CC2)cc1.
What is the InChIKey of N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide?
The InChIKey is IDTKKVJBQPLPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-3-4-5-15-28-22-8-6-20(7-9-22)23(26)24(2)21-10-13-25(14-11-21)17-19-12-16-27-18-19/h6-9,19,21H,3-5,10-18H2,1-2H3.
What are the key properties of N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide?
N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide has a molecular weight of 388.55 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-4-pentoxybenzamide is sourced from PubChem (CID 102557641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).