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

C18H25ClN2O4 — CID 42930469

IUPACtert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25ClN2O4/c1-13(24-15-7-5-14(19)6-8-15)16(22)20-9-11-21(12-10-20)17(23)25-18(2,3)4/h5-8,13H,9-12H2,1-4H3
InChIKeySRHLTJSVHYYZDA-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.19
Rot. Bonds3

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

tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate (PubChem CID 42930469) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate
PubChem CID42930469
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Nametert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H25ClN2O4/c1-13(24-15-7-5-14(19)6-8-15)16(22)20-9-11-21(12-10-20)17(23)25-18(2,3)4/h5-8,13H,9-12H2,1-4H3
InChIKeySRHLTJSVHYYZDA-UHFFFAOYSA-N
XLogP3.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(4-methoxyphenoxy)propanoyl]piperazine-1-carboxylate
CID 51331914
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
2-(4-chlorophenoxy)-1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535954
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534102
tert-butyl 4-[3-(4-chlorophenyl)-2-hydroxypropanoyl]piperazine-1-carboxylate
CID 118165563
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108568868
tert-butyl 4-[1-(4-chlorophenyl)ethyl]piperazine-1-carboxylate;formonitrile
CID 142156796
tert-butyl 4-[2-[4-amino-3-(prop-2-enoylamino)phenoxy]propanoyl]piperazine-1-carboxylate
CID 90333714
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544785
2-(4-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 53150906
2-(4-chlorophenoxy)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55344253

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate (CID 42930469) is tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate is CC(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate?
The InChIKey is SRHLTJSVHYYZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-13(24-15-7-5-14(19)6-8-15)16(22)20-9-11-21(12-10-20)17(23)25-18(2,3)4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate has a molecular weight of 368.86 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-chlorophenoxy)propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 42930469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).