tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate

C15H27N3O5 — CID 127591993

IUPACtert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27N3O5/c1-5-22-12(19)6-7-16-13(20)17-8-10-18(11-9-17)14(21)23-15(2,3)4/h5-11H2,1-4H3,(H,16,20)
InChIKeySLRXOTJEZWGBMQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.20
Rot. Bonds4

About tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate

tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 127591993) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate
PubChem CID127591993
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Nametert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27N3O5/c1-5-22-12(19)6-7-16-13(20)17-8-10-18(11-9-17)14(21)23-15(2,3)4/h5-11H2,1-4H3,(H,16,20)
InChIKeySLRXOTJEZWGBMQ-UHFFFAOYSA-N
XLogP1.20
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate
CID 108895304
tert-butyl 4-(3-ethoxy-3-oxopropyl)piperazine-1-carboxylate
CID 23000690
tert-butyl 4-(hexylcarbamoyl)piperazine-1-carboxylate
CID 46743121
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095
tert-butyl 4-[2-(ethoxycarbonylamino)ethyl]piperazine-1-carboxylate
CID 110397582
tert-butyl 4-[4-[(3-ethoxy-3-oxopropyl)amino]-3-methoxyphenyl]piperazine-1-carboxylate
CID 171785558
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696
1-[(3-ethoxy-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031772
2-[4-[(4-ethoxy-4-oxobutyl)carbamoyl]piperazin-1-yl]acetic acid
CID 64575856
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
CID 126739379
tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate
CID 108864367

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate (CID 127591993) is tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate is CCOC(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is SLRXOTJEZWGBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-5-22-12(19)6-7-16-13(20)17-8-10-18(11-9-17)14(21)23-15(2,3)4/h5-11H2,1-4H3,(H,16,20).
What are the key properties of tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate?
tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 127591993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).