tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate

C18H34N4O4 — CID 95785443

IUPACtert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate
SMILESCCC[C@@H](C(=O)NCC(=O)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N4O4/c1-7-8-14(16(24)19-13-15(23)20(5)6)21-9-11-22(12-10-21)17(25)26-18(2,3)4/h14H,7-13H2,1-6H3,(H,19,24)/t14-/m0/s1
InChIKeyVZYRKYGAVGEZRV-AWEZNQCLSA-N
MW370.49 g/mol
LogP0.91
Rot. Bonds6

About tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate

tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate (PubChem CID 95785443) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate
PubChem CID95785443
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Nametert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate
SMILESCCC[C@@H](C(=O)NCC(=O)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N4O4/c1-7-8-14(16(24)19-13-15(23)20(5)6)21-9-11-22(12-10-21)17(25)26-18(2,3)4/h14H,7-13H2,1-6H3,(H,19,24)/t14-/m0/s1
InChIKeyVZYRKYGAVGEZRV-AWEZNQCLSA-N
XLogP0.91
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate (CID 95785443) is tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate is CCC[C@@H](C(=O)NCC(=O)N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate?
The InChIKey is VZYRKYGAVGEZRV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-7-8-14(16(24)19-13-15(23)20(5)6)21-9-11-22(12-10-21)17(25)26-18(2,3)4/h14H,7-13H2,1-6H3,(H,19,24)/t14-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-1-[[2-(dimethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 95785443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).