benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate

C17H22N2O4 — CID 85064014

IUPACbenzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H22N2O4/c20-16(15-7-4-12-22-15)18-8-10-19(11-9-18)17(21)23-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
InChIKeyRRQSRQLEUDKISC-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.65
Rot. Bonds3

About benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate

benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate (PubChem CID 85064014) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
PubChem CID85064014
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namebenzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H22N2O4/c20-16(15-7-4-12-22-15)18-8-10-19(11-9-18)17(21)23-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
InChIKeyRRQSRQLEUDKISC-UHFFFAOYSA-N
XLogP1.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
benzyl N-[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]sulfonylethyl]carbamate
CID 97082374
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
benzyl aziridine-1-carboxylate;silane
CID 158496499
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone
CID 121168031
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl piperidine-1-carboxylate
CID 158057698
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl (2R)-2-[(2S)-oxolan-2-yl]pyrrolidine-1-carboxylate
CID 155821015

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate (CID 85064014) is benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is RRQSRQLEUDKISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-16(15-7-4-12-22-15)18-8-10-19(11-9-18)17(21)23-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2.
What are the key properties of benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate?
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 318.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 85064014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).