6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid

C15H29N3O3 — CID 62775914

IUPAC6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
SMILESCCC(C)N1CCN(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C15H29N3O3/c1-3-13(2)17-9-11-18(12-10-17)15(21)16-8-6-4-5-7-14(19)20/h13H,3-12H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyQTLVMPNJAAQNMX-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.76
Rot. Bonds8

About 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid

6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid (PubChem CID 62775914) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
PubChem CID62775914
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
SMILESCCC(C)N1CCN(C(=O)NCCCCCC(=O)O)CC1
InChIInChI=1S/C15H29N3O3/c1-3-13(2)17-9-11-18(12-10-17)15(21)16-8-6-4-5-7-14(19)20/h13H,3-12H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyQTLVMPNJAAQNMX-UHFFFAOYSA-N
XLogP1.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
7-(thiomorpholine-4-carbonylamino)heptanoic acid
CID 61200253
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
7-[[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]amino]heptanoic acid
CID 175151385
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
(2S)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 55117131
3-(4-butan-2-ylpiperazin-1-yl)-N-pentylpropanamide
CID 156820113
6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 43585543
N-butylaziridine-1-carboxamide
CID 55206947

Frequently Asked Questions

What is the IUPAC name of 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid (CID 62775914) is 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid is CCC(C)N1CCN(C(=O)NCCCCCC(=O)O)CC1.
What is the InChIKey of 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid?
The InChIKey is QTLVMPNJAAQNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-13(2)17-9-11-18(12-10-17)15(21)16-8-6-4-5-7-14(19)20/h13H,3-12H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid?
6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 62775914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).