2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid

C14H25N3O4 — CID 67762104

IUPAC2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid
SMILESC[C@@H](C(=O)N1CCC(OCC(=O)O)CC1)N1CCNCC1
InChIInChI=1S/C14H25N3O4/c1-11(16-8-4-15-5-9-16)14(20)17-6-2-12(3-7-17)21-10-13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyGHEVKUOELVRSHN-NSHDSACASA-N
MW299.37 g/mol
LogP-0.63
Rot. Bonds5

About 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 67762104) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid
PubChem CID67762104
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid
SMILESC[C@@H](C(=O)N1CCC(OCC(=O)O)CC1)N1CCNCC1
InChIInChI=1S/C14H25N3O4/c1-11(16-8-4-15-5-9-16)14(20)17-6-2-12(3-7-17)21-10-13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyGHEVKUOELVRSHN-NSHDSACASA-N
XLogP-0.63
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid (CID 67762104) is 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid is C[C@@H](C(=O)N1CCC(OCC(=O)O)CC1)N1CCNCC1.
What is the InChIKey of 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is GHEVKUOELVRSHN-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11(16-8-4-15-5-9-16)14(20)17-6-2-12(3-7-17)21-10-13(18)19/h11-12,15H,2-10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 299.37 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-piperazin-1-ylpropanoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 67762104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).