N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide

C21H32N2O3 — CID 26411725

IUPACN-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C3CCOCC3)C2)c(C)c1
InChIInChI=1S/C21H32N2O3/c1-16-14-19(25-2)6-7-20(16)22-21(24)8-5-17-4-3-11-23(15-17)18-9-12-26-13-10-18/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyXBWIJHTZSYBBQH-QGZVFWFLSA-N
MW360.50 g/mol
LogP3.61
Rot. Bonds6

About N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide (PubChem CID 26411725) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
PubChem CID26411725
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C3CCOCC3)C2)c(C)c1
InChIInChI=1S/C21H32N2O3/c1-16-14-19(25-2)6-7-20(16)22-21(24)8-5-17-4-3-11-23(15-17)18-9-12-26-13-10-18/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyXBWIJHTZSYBBQH-QGZVFWFLSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42241549
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
CID 25381029
3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 97269318
3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 45202621
N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
N-(4-methoxy-2-methylphenyl)-3-[1-(4-oxo-4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45200068
N-(2-fluorophenyl)-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-3-yl]propanamide
CID 45220562
3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 97274583
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
CID 26399957

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide (CID 26411725) is N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@H]2CCCN(C3CCOCC3)C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide?
The InChIKey is XBWIJHTZSYBBQH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16-14-19(25-2)6-7-20(16)22-21(24)8-5-17-4-3-11-23(15-17)18-9-12-26-13-10-18/h6-7,14,17-18H,3-5,8-13,15H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide?
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide has a molecular weight of 360.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 26411725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).