[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate

C16H26N2O4 — CID 97080553

IUPAC[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
SMILESO=C(OC[C@@H]1CCCO1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H26N2O4/c19-15(22-12-14-4-3-11-21-14)13-5-9-18(10-6-13)16(20)17-7-1-2-8-17/h13-14H,1-12H2/t14-/m0/s1
InChIKeyUAJLQNGCHILYLC-AWEZNQCLSA-N
MW310.39 g/mol
LogP1.64
Rot. Bonds3

About [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate

[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate (PubChem CID 97080553) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
PubChem CID97080553
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
SMILESO=C(OC[C@@H]1CCCO1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H26N2O4/c19-15(22-12-14-4-3-11-21-14)13-5-9-18(10-6-13)16(20)17-7-1-2-8-17/h13-14H,1-12H2/t14-/m0/s1
InChIKeyUAJLQNGCHILYLC-AWEZNQCLSA-N
XLogP1.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl piperidine-1-carboxylate
CID 141186129
oxan-2-ylmethyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612573
cis-oxolan-2-ylmethyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323805
oxolan-2-ylmethyl pyrrolidine-3-carboxylate
CID 63031488
oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557079
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
ethyl 1-[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156532
oxan-2-ylmethyl 3-aminocyclohexane-1-carboxylate
CID 55148465
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxan-2-ylmethyl piperidine-3-carboxylate
CID 61279233
oxan-2-ylmethyl (3S)-piperidine-3-carboxylate
CID 81126221

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate (CID 97080553) is [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate is O=C(OC[C@@H]1CCCO1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is UAJLQNGCHILYLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O4/c19-15(22-12-14-4-3-11-21-14)13-5-9-18(10-6-13)16(20)17-7-1-2-8-17/h13-14H,1-12H2/t14-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate?
[(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 310.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 97080553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).