tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate

C14H27N3O3 — CID 126578162

IUPACtert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate
SMILESCC(C)CC(=O)NN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-11(2)10-12(18)15-17-8-6-16(7-9-17)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,18)
InChIKeyLKINYWIYNJWOIF-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.62
Rot. Bonds3

About tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate

tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate (PubChem CID 126578162) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate
PubChem CID126578162
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate
SMILESCC(C)CC(=O)NN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-11(2)10-12(18)15-17-8-6-16(7-9-17)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,18)
InChIKeyLKINYWIYNJWOIF-UHFFFAOYSA-N
XLogP1.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-chloropropanoylamino)piperazine-1-carboxylate
CID 53273915
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
tert-butyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]piperazine-1-carboxylate
CID 141271601
tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 103778322
tert-butyl 4-(1-hydroxy-2-methylpropan-2-yl)piperazine-1-carboxylate
CID 57420345
tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
tert-butyl 4-hydroxy-4-[(2-methylpropylamino)methyl]piperidine-1-carboxylate
CID 54250356
tert-butyl 4-[(2S)-3-methoxy-2-methyl-3-oxopropyl]piperazine-1-carboxylate
CID 25418682
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate (CID 126578162) is tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate is CC(C)CC(=O)NN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate?
The InChIKey is LKINYWIYNJWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)10-12(18)15-17-8-6-16(7-9-17)13(19)20-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,18).
What are the key properties of tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate?
tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate is sourced from PubChem (CID 126578162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).