tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate

C18H30N2O5 — CID 56547651

IUPACtert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC(C2OCCO2)C1
InChIInChI=1S/C18H30N2O5/c1-18(2,3)25-17(22)20-9-5-7-14(20)15(21)19-8-4-6-13(12-19)16-23-10-11-24-16/h13-14,16H,4-12H2,1-3H3
InChIKeyIXYZPACNFGGGAM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate

tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 56547651) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID56547651
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Nametert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC(C2OCCO2)C1
InChIInChI=1S/C18H30N2O5/c1-18(2,3)25-17(22)20-9-5-7-14(20)15(21)19-8-4-6-13(12-19)16-23-10-11-24-16/h13-14,16H,4-12H2,1-3H3
InChIKeyIXYZPACNFGGGAM-UHFFFAOYSA-N
XLogP2.00
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
ethyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate
CID 110677869
tert-butyl (2R)-2-[4-(dimethylamino)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 143899487
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
tert-butyl (2S)-2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 119039985
(2S)-1-[(2R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 124604992
tert-butyl (2R)-2-[(4aR,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl]pyrrolidine-1-carboxylate
CID 7001870
tert-butyl 2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)pyrrolidine-1-carboxylate
CID 3622114
methyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-4-carboxylate
CID 94014523
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 95386953
tert-butyl 2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 110624369
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate (CID 56547651) is tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC(C2OCCO2)C1.
What is the InChIKey of tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is IXYZPACNFGGGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-18(2,3)25-17(22)20-9-5-7-14(20)15(21)19-8-4-6-13(12-19)16-23-10-11-24-16/h13-14,16H,4-12H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 56547651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).