3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

C21H30N2O3 — CID 110312177

IUPAC3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCC(=O)N2CCCCC2)C2CC2)cc1C
InChIInChI=1S/C21H30N2O3/c1-15-12-17(8-9-19(15)26-2)18(16-6-7-16)13-20(24)22-14-21(25)23-10-4-3-5-11-23/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyAVHBNJFAUNUXFZ-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.02
Rot. Bonds7

About 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (PubChem CID 110312177) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
PubChem CID110312177
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCC(=O)N2CCCCC2)C2CC2)cc1C
InChIInChI=1S/C21H30N2O3/c1-15-12-17(8-9-19(15)26-2)18(16-6-7-16)13-20(24)22-14-21(25)23-10-4-3-5-11-23/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3,(H,22,24)
InChIKeyAVHBNJFAUNUXFZ-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 110306820
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110297471
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110297458
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 110301496
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]piperidine-4-carboxamide
CID 110673883
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413285
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (CID 110312177) is 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is COc1ccc(C(CC(=O)NCC(=O)N2CCCCC2)C2CC2)cc1C.
What is the InChIKey of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The InChIKey is AVHBNJFAUNUXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15-12-17(8-9-19(15)26-2)18(16-6-7-16)13-20(24)22-14-21(25)23-10-4-3-5-11-23/h8-9,12,16,18H,3-7,10-11,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide has a molecular weight of 358.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 110312177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).