methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate

C12H21N3O3 — CID 93376360

IUPACmethyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C12H21N3O3/c1-18-11(16)9-14-5-7-15(8-6-14)12(17)10-3-2-4-13-10/h10,13H,2-9H2,1H3/t10-/m1/s1
InChIKeyHUTCHRWYCIBXHI-SNVBAGLBSA-N
MW255.32 g/mol
LogP-0.94
Rot. Bonds3

About methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate

methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate (PubChem CID 93376360) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
PubChem CID93376360
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Namemethyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C12H21N3O3/c1-18-11(16)9-14-5-7-15(8-6-14)12(17)10-3-2-4-13-10/h10,13H,2-9H2,1H3/t10-/m1/s1
InChIKeyHUTCHRWYCIBXHI-SNVBAGLBSA-N
XLogP-0.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 60717609
N,N-dimethyl-2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 103813307
N-(2-methoxyethyl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119836395
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
2-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62825334
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate (CID 93376360) is methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)[C@H]2CCCN2)CC1.
What is the InChIKey of methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate?
The InChIKey is HUTCHRWYCIBXHI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-18-11(16)9-14-5-7-15(8-6-14)12(17)10-3-2-4-13-10/h10,13H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate?
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate has a molecular weight of 255.32 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate is sourced from PubChem (CID 93376360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).