5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid

C14H27N3O3 — CID 82848014

IUPAC5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
SMILESCCN1CCN(C(=O)NC(C)CCCC(=O)O)CC1C
InChIInChI=1S/C14H27N3O3/c1-4-16-8-9-17(10-12(16)3)14(20)15-11(2)6-5-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyMRHIJNQCXKEFMO-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.37
Rot. Bonds6

About 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid

5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid (PubChem CID 82848014) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
PubChem CID82848014
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
SMILESCCN1CCN(C(=O)NC(C)CCCC(=O)O)CC1C
InChIInChI=1S/C14H27N3O3/c1-4-16-8-9-17(10-12(16)3)14(20)15-11(2)6-5-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyMRHIJNQCXKEFMO-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 63615523
5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82847997
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63616366
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
(2S)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107827805
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540967
3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
CID 63616193
(2R)-2-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104910317
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103159409
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63605097

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid (CID 82848014) is 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid is CCN1CCN(C(=O)NC(C)CCCC(=O)O)CC1C.
What is the InChIKey of 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid?
The InChIKey is MRHIJNQCXKEFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-16-8-9-17(10-12(16)3)14(20)15-11(2)6-5-7-13(18)19/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid?
5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82848014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).