3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid

C14H27N3O3 — CID 81073349

IUPAC3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCCN1CCN(C(=O)NCC(CC)CC(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-3-5-16-6-8-17(9-7-16)14(20)15-11-12(4-2)10-13(18)19/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyYBIMBDJAVFVSSJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds7

About 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid

3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81073349) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
PubChem CID81073349
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCCN1CCN(C(=O)NCC(CC)CC(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-3-5-16-6-8-17(9-7-16)14(20)15-11-12(4-2)10-13(18)19/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyYBIMBDJAVFVSSJ-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81069891
3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81068168
3-[4-(2-methylbutylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62691648
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 102744912
N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide
CID 113104066
3-[(2-thiomorpholin-4-ylethylcarbamoylamino)methyl]pentanoic acid
CID 106326379
3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81067589
3-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-2-methylpropanoic acid
CID 62670111
2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464461

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid (CID 81073349) is 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid is CCCN1CCN(C(=O)NCC(CC)CC(=O)O)CC1.
What is the InChIKey of 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is YBIMBDJAVFVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-5-16-6-8-17(9-7-16)14(20)15-11-12(4-2)10-13(18)19/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid?
3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81073349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).