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

C20H30N2O4 — CID 51124373

IUPACtert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCOc1ccc(CCC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)22-13-11-16(12-14-22)21-18(23)10-7-15-5-8-17(25-4)9-6-15/h5-6,8-9,16H,7,10-14H2,1-4H3,(H,21,23)
InChIKeyHEYWVDPDJJEQBX-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.14
Rot. Bonds5

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

tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate (PubChem CID 51124373) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
PubChem CID51124373
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nametert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCOc1ccc(CCC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)22-13-11-16(12-14-22)21-18(23)10-7-15-5-8-17(25-4)9-6-15/h5-6,8-9,16H,7,10-14H2,1-4H3,(H,21,23)
InChIKeyHEYWVDPDJJEQBX-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
tert-butyl (3S)-3-[3-(3-methoxyphenyl)propanoylamino]pyrrolidine-1-carboxylate
CID 96515811
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 55949745
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821944
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110821946
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide
CID 110819891

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate (CID 51124373) is tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate is COc1ccc(CCC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is HEYWVDPDJJEQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-20(2,3)26-19(24)22-13-11-16(12-14-22)21-18(23)10-7-15-5-8-17(25-4)9-6-15/h5-6,8-9,16H,7,10-14H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate?
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 51124373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).