tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate

C14H25N3O3 — CID 50986445

IUPACtert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-9-7-16(8-10-17)12(18)11-5-4-6-15-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyMUWOCYONAOKDIN-NSHDSACASA-N
MW283.37 g/mol
LogP0.82
Rot. Bonds1

About tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 50986445) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate
PubChem CID50986445
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-9-7-16(8-10-17)12(18)11-5-4-6-15-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyMUWOCYONAOKDIN-NSHDSACASA-N
XLogP0.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate (CID 50986445) is tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is MUWOCYONAOKDIN-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-9-7-16(8-10-17)12(18)11-5-4-6-15-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate?
tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-pyrrolidine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 50986445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).