tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate

C17H33N3O3 — CID 103778322

IUPACtert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
SMILESCC(C)CC(C)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33N3O3/c1-13(2)11-14(3)18-12-15(21)19-7-9-20(10-8-19)16(22)23-17(4,5)6/h13-14,18H,7-12H2,1-6H3
InChIKeyMIUITFKUXZZTSW-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.09
Rot. Bonds5

About tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate

tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate (PubChem CID 103778322) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
PubChem CID103778322
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Nametert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
SMILESCC(C)CC(C)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33N3O3/c1-13(2)11-14(3)18-12-15(21)19-7-9-20(10-8-19)16(22)23-17(4,5)6/h13-14,18H,7-12H2,1-6H3
InChIKeyMIUITFKUXZZTSW-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(1-methoxypropan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 103711034
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperazine-1-carboxylate
CID 141354092
tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155
methyl 4-[2-(butan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 54916418
tert-butyl 3-methyl-3-[(4-methylpentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530876
tert-butyl 3-[2-(4-methylpentan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 103782879
tert-butyl 4-(3-methylbutanoylamino)piperazine-1-carboxylate
CID 126578162
tert-butyl 4-[2-(5-methylhexan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 107243559
tert-butyl 4-(2-aminoacetyl)piperazine-1-carboxylate;hydrochloride
CID 54759044
tert-butyl 4-[2-(cyclopropanecarbonylamino)acetyl]-1,4-diazepane-1-carboxylate
CID 95752747
tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
CID 70034747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate (CID 103778322) is tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate is CC(C)CC(C)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is MIUITFKUXZZTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-13(2)11-14(3)18-12-15(21)19-7-9-20(10-8-19)16(22)23-17(4,5)6/h13-14,18H,7-12H2,1-6H3.
What are the key properties of tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 103778322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).