benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate

C17H23N3O3 — CID 93481134

IUPACbenzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C17H23N3O3/c21-16(19-11-8-18-9-12-19)15-7-4-10-20(15)17(22)23-13-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2/t15-/m1/s1
InChIKeySEOKOCRAHFTPPL-OAHLLOKOSA-N
MW317.39 g/mol
LogP1.22
Rot. Bonds3

About benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate

benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 93481134) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID93481134
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Namebenzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCNCC1
InChIInChI=1S/C17H23N3O3/c21-16(19-11-8-18-9-12-19)15-7-4-10-20(15)17(22)23-13-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2/t15-/m1/s1
InChIKeySEOKOCRAHFTPPL-OAHLLOKOSA-N
XLogP1.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]azetidine-2-carboxylic acid
CID 14499798
(2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carbothioic S-acid
CID 22853357
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S)-2-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxylate
CID 10869549
benzyl (2S)-2-dimethoxyphosphorylcarbonylpyrrolidine-1-carboxylate
CID 165341202

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate (CID 93481134) is benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate is O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCNCC1.
What is the InChIKey of benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is SEOKOCRAHFTPPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(19-11-8-18-9-12-19)15-7-4-10-20(15)17(22)23-13-14-5-2-1-3-6-14/h1-3,5-6,15,18H,4,7-13H2/t15-/m1/s1.
What are the key properties of benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate?
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 93481134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).