methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate

C17H24N2O4 — CID 110821761

IUPACmethyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)CCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-22-15-5-3-4-13(12-15)6-7-16(20)18-14-8-10-19(11-9-14)17(21)23-2/h3-5,12,14H,6-11H2,1-2H3,(H,18,20)
InChIKeyNUSZUXYKSUBYSY-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.97
Rot. Bonds5

About methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate

methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate (PubChem CID 110821761) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
PubChem CID110821761
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)CCc2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-22-15-5-3-4-13(12-15)6-7-16(20)18-14-8-10-19(11-9-14)17(21)23-2/h3-5,12,14H,6-11H2,1-2H3,(H,18,20)
InChIKeyNUSZUXYKSUBYSY-UHFFFAOYSA-N
XLogP1.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891
tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
CID 96515811
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 110822281
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
CID 110719748
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate (CID 110821761) is methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)CCc2cccc(OC)c2)CC1.
What is the InChIKey of methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is NUSZUXYKSUBYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-15-5-3-4-13(12-15)6-7-16(20)18-14-8-10-19(11-9-14)17(21)23-2/h3-5,12,14H,6-11H2,1-2H3,(H,18,20).
What are the key properties of methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate?
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 110821761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).