N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

C20H28N4O4 — CID 60565475

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N2CCCC(c3nc(C)no3)C2)cc1OC
InChIInChI=1S/C20H28N4O4/c1-13(24-9-5-6-16(12-24)20-22-14(2)23-28-20)19(25)21-11-15-7-8-17(26-3)18(10-15)27-4/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3,(H,21,25)
InChIKeyPLPPFKPZCNAEII-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.28
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 60565475) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
PubChem CID60565475
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)N2CCCC(c3nc(C)no3)C2)cc1OC
InChIInChI=1S/C20H28N4O4/c1-13(24-9-5-6-16(12-24)20-22-14(2)23-28-20)19(25)21-11-15-7-8-17(26-3)18(10-15)27-4/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3,(H,21,25)
InChIKeyPLPPFKPZCNAEII-UHFFFAOYSA-N
XLogP2.28
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 124859531
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 71939627
3-(3,4-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 47061048
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 52530117
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 42895887
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(2R)-N-cyclopropyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 98857991
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 124844088
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 154811186
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95308982
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430394

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide (CID 60565475) is N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is COc1ccc(CNC(=O)C(C)N2CCCC(c3nc(C)no3)C2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is PLPPFKPZCNAEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-13(24-9-5-6-16(12-24)20-22-14(2)23-28-20)19(25)21-11-15-7-8-17(26-3)18(10-15)27-4/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3,(H,21,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 388.47 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 60565475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).