N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide

C18H26N2O3 — CID 120599937

IUPACN-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCC1CC(NC(=O)c2cccc(OCC3CCCO3)c2)CCN1
InChIInChI=1S/C18H26N2O3/c1-13-10-15(7-8-19-13)20-18(21)14-4-2-5-16(11-14)23-12-17-6-3-9-22-17/h2,4-5,11,13,15,17,19H,3,6-10,12H2,1H3,(H,20,21)
InChIKeyNLMDJQUZKDKPAG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.11
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide

N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 120599937) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID120599937
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCC1CC(NC(=O)c2cccc(OCC3CCCO3)c2)CCN1
InChIInChI=1S/C18H26N2O3/c1-13-10-15(7-8-19-13)20-18(21)14-4-2-5-16(11-14)23-12-17-6-3-9-22-17/h2,4-5,11,13,15,17,19H,3,6-10,12H2,1H3,(H,20,21)
InChIKeyNLMDJQUZKDKPAG-UHFFFAOYSA-N
XLogP2.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119455783
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide (CID 120599937) is N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide is CC1CC(NC(=O)c2cccc(OCC3CCCO3)c2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is NLMDJQUZKDKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-10-15(7-8-19-13)20-18(21)14-4-2-5-16(11-14)23-12-17-6-3-9-22-17/h2,4-5,11,13,15,17,19H,3,6-10,12H2,1H3,(H,20,21).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 120599937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).