N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide

C20H28N2O4 — CID 45246394

IUPACN-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-25-17-5-2-4-16(14-17)21-19(23)8-7-15-9-11-22(12-10-15)20(24)18-6-3-13-26-18/h2,4-5,14-15,18H,3,6-13H2,1H3,(H,21,23)
InChIKeyMWRKHVZEBRSNLF-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.83
Rot. Bonds6

About N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide

N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 45246394) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID45246394
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C20H28N2O4/c1-25-17-5-2-4-16(14-17)21-19(23)8-7-15-9-11-22(12-10-15)20(24)18-6-3-13-26-18/h2,4-5,14-15,18H,3,6-13H2,1H3,(H,21,23)
InChIKeyMWRKHVZEBRSNLF-UHFFFAOYSA-N
XLogP2.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97283369
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
N-(3-methoxyphenyl)-3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 72883906
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
3-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25375209
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 26405274
[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide (CID 45246394) is N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)C3CCCO3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is MWRKHVZEBRSNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-5-2-4-16(14-17)21-19(23)8-7-15-9-11-22(12-10-15)20(24)18-6-3-13-26-18/h2,4-5,14-15,18H,3,6-13H2,1H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide?
N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 360.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45246394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).