3-[(piperazine-1-carbonylamino)methyl]pentanoic acid

C11H21N3O3 — CID 81069478

IUPAC3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCNCC1)CC(=O)O
InChIInChI=1S/C11H21N3O3/c1-2-9(7-10(15)16)8-13-11(17)14-5-3-12-4-6-14/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyVAVOYCMZEJTAMP-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.10
Rot. Bonds5

About 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid

3-[(piperazine-1-carbonylamino)methyl]pentanoic acid (PubChem CID 81069478) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
PubChem CID81069478
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCNCC1)CC(=O)O
InChIInChI=1S/C11H21N3O3/c1-2-9(7-10(15)16)8-13-11(17)14-5-3-12-4-6-14/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyVAVOYCMZEJTAMP-UHFFFAOYSA-N
XLogP0.10
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81069891
3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81073349
3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81068168
N-(2-benzylbutyl)piperazine-1-carboxamide
CID 131936268
N-ethylpiperazine-1-carboxamide
CID 9207783
3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 102744912
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81073298
3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81067589
3-[(piperidine-4-carbonylamino)methyl]pentanoic acid
CID 81072442
3-[[(2-methyl-1,4-oxazepane-4-carbonyl)amino]methyl]pentanoic acid
CID 81070041
3-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 81070191
3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
CID 81072300

Frequently Asked Questions

What is the IUPAC name of 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid (CID 81069478) is 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid is CCC(CNC(=O)N1CCNCC1)CC(=O)O.
What is the InChIKey of 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid?
The InChIKey is VAVOYCMZEJTAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-9(7-10(15)16)8-13-11(17)14-5-3-12-4-6-14/h9,12H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid?
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(piperazine-1-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81069478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).