tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate

C19H28N2O5 — CID 51331914

IUPACtert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate
SMILESCOc1ccc(OC(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O5/c1-14(25-16-8-6-15(24-5)7-9-16)17(22)20-10-12-21(13-11-20)18(23)26-19(2,3)4/h6-9,14H,10-13H2,1-5H3
InChIKeyQOBKFROYHKWNSM-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate

tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate (PubChem CID 51331914) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate
PubChem CID51331914
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Nametert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate
SMILESCOc1ccc(OC(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H28N2O5/c1-14(25-16-8-6-15(24-5)7-9-16)17(22)20-10-12-21(13-11-20)18(23)26-19(2,3)4/h6-9,14H,10-13H2,1-5H3
InChIKeyQOBKFROYHKWNSM-UHFFFAOYSA-N
XLogP2.54
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate
CID 42930469
4-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperazine-1-carbaldehyde
CID 925146
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
tert-butyl 4-[bis(4-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 171985225
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
tert-butyl 4-[2-[4-amino-3-(prop-2-enoylamino)phenoxy]propanoyl]piperazine-1-carboxylate
CID 90333714
1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;bis(tert-butyl morpholine-4-carboxylate)
CID 170603344
tert-butyl 4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 85437217
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
tert-butyl 4-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 28703897
2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78801387
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenoxy)propan-1-one
CID 55505681

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate (CID 51331914) is tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate is COc1ccc(OC(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate?
The InChIKey is QOBKFROYHKWNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-14(25-16-8-6-15(24-5)7-9-16)17(22)20-10-12-21(13-11-20)18(23)26-19(2,3)4/h6-9,14H,10-13H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 51331914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).