tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate

C12H24N4O3 — CID 102730712

IUPACtert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C(N)=O)N1CCNCC1
InChIInChI=1S/C12H24N4O3/c1-12(2,3)19-11(18)15-8-9(10(13)17)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H2,13,17)(H,15,18)
InChIKeyMOIKUWCNLDBIOZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.73
Rot. Bonds4

About tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate

tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate (PubChem CID 102730712) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate
PubChem CID102730712
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Nametert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C(N)=O)N1CCNCC1
InChIInChI=1S/C12H24N4O3/c1-12(2,3)19-11(18)15-8-9(10(13)17)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H2,13,17)(H,15,18)
InChIKeyMOIKUWCNLDBIOZ-UHFFFAOYSA-N
XLogP-0.73
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-oxo-1,4-diazepan-1-yl)propanoate
CID 86819682
N'-tert-butyl-2-piperazin-1-ylbutanediamide
CID 66430221
1-O-tert-butyl 5-O-methyl 2-(1,4,7,10-tetrazacyclododec-1-yl)pentanedioate
CID 162500907
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
CID 50986503
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
CID 22285081
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
4-amino-3-[4,7-bis(1-amino-3-carboxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-4-oxobutanoic acid
CID 90006182
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate (CID 102730712) is tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate is CC(C)(C)OC(=O)NCC(C(N)=O)N1CCNCC1.
What is the InChIKey of tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate?
The InChIKey is MOIKUWCNLDBIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-12(2,3)19-11(18)15-8-9(10(13)17)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H2,13,17)(H,15,18).
What are the key properties of tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate?
tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate has a molecular weight of 272.35 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate is sourced from PubChem (CID 102730712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).