tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate

C17H30N2O3 — CID 10335583

IUPACtert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC[C@@H]2CCCNC2=O)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-11-8-13(9-12-19)6-7-14-5-4-10-18-15(14)20/h13-14H,4-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyPDQWPFQSGJRBRQ-AWEZNQCLSA-N
MW310.44 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate (PubChem CID 10335583) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
PubChem CID10335583
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC[C@@H]2CCCNC2=O)CC1
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-11-8-13(9-12-19)6-7-14-5-4-10-18-15(14)20/h13-14H,4-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyPDQWPFQSGJRBRQ-AWEZNQCLSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58694772
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-[(2,3-dioxopiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 83290488
tert-butyl 4-[2-(5-methyl-2-oxoimidazolidin-1-yl)ethyl]piperidine-1-carboxylate
CID 67714075
tert-butyl 4-[4-(2-oxoimidazolidin-1-yl)pent-3-enyl]piperidine-1-carboxylate
CID 86747527
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
tert-butyl 4-[2-[(3R)-1-[2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-2-oxoethyl]-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate
CID 10391090
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
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tert-butyl (4S)-4-(hydroxymethyl)azepane-1-carboxylate
CID 86326135
(3R)-3-[[2-[(3R)-3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-2-oxopiperidin-1-yl]acetyl]amino]butanoic acid
CID 10004062
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate (CID 10335583) is tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC[C@@H]2CCCNC2=O)CC1.
What is the InChIKey of tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is PDQWPFQSGJRBRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(21)19-11-8-13(9-12-19)6-7-14-5-4-10-18-15(14)20/h13-14H,4-12H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(3R)-2-oxopiperidin-3-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 10335583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).