4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid

C15H28N2O3 — CID 122022214

IUPAC4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCC(C)CCC1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)5-6-13-7-10-17(11-8-13)15(20)16-9-3-4-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHZMYZUXLPUNWIQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds7

About 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid

4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 122022214) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID122022214
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCC(C)CCC1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)5-6-13-7-10-17(11-8-13)15(20)16-9-3-4-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyHZMYZUXLPUNWIQ-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021590
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
CID 114799037
3-[1-[[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62211698
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-4-yl]acetic acid
CID 106005309
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
3-[1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidin-4-yl]propanoic acid
CID 62215903
3-[1-(4-methylsulfanylbutylcarbamoyl)pyrrolidin-3-yl]propanoic acid
CID 113488067

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid (CID 122022214) is 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid is CC(C)CCC1CCN(C(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is HZMYZUXLPUNWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)5-6-13-7-10-17(11-8-13)15(20)16-9-3-4-14(18)19/h12-13H,3-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid?
4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methylbutyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122022214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).