tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate

C14H25N3O3 — CID 97300286

IUPACtert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@H]2CCCNC2)C(=O)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-7-8-17(12(18)10-16)11-5-4-6-15-9-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeySCLHAIIXTBSBOP-NSHDSACASA-N
MW283.37 g/mol
LogP0.82
Rot. Bonds1

About tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate

tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 97300286) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate
PubChem CID97300286
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN([C@H]2CCCNC2)C(=O)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-7-8-17(12(18)10-16)11-5-4-6-15-9-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeySCLHAIIXTBSBOP-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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Related Compounds

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CID 99787582
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CID 159151238
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
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tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
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tert-butyl 4-[2-(piperidin-3-ylamino)acetyl]piperazine-1-carboxylate
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tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl 3-piperidin-3-yloxypyrrolidine-1-carboxylate
CID 126844367
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate (CID 97300286) is tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN([C@H]2CCCNC2)C(=O)C1.
What is the InChIKey of tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate?
The InChIKey is SCLHAIIXTBSBOP-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)16-7-8-17(12(18)10-16)11-5-4-6-15-9-11/h11,15H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate?
tert-butyl 3-oxo-4-[(3S)-piperidin-3-yl]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 3-oxo-4-[(3S)-piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 97300286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).