3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid

C12H21N3O3 — CID 63006582

IUPAC3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C12H21N3O3/c16-11(17)2-4-14-5-7-15(8-6-14)12(18)10-1-3-13-9-10/h10,13H,1-9H2,(H,16,17)
InChIKeyVTBBFWDZDIOTHL-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.79
Rot. Bonds4

About 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 63006582) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID63006582
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C12H21N3O3/c16-11(17)2-4-14-5-7-15(8-6-14)12(18)10-1-3-13-9-10/h10,13H,1-9H2,(H,16,17)
InChIKeyVTBBFWDZDIOTHL-UHFFFAOYSA-N
XLogP-0.79
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63005475
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 119887988
N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119837527
1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119834289
3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 61405185

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid (CID 63006582) is 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is VTBBFWDZDIOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-11(17)2-4-14-5-7-15(8-6-14)12(18)10-1-3-13-9-10/h10,13H,1-9H2,(H,16,17).
What are the key properties of 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 63006582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).