1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid

C15H28N2O3 — CID 63125457

IUPAC1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C15H28N2O3/c1-2-7-15(14(19)20)8-11-17(12-9-15)13(18)6-4-3-5-10-16/h2-12,16H2,1H3,(H,19,20)
InChIKeyBPTGENIXUHYOOH-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.00
Rot. Bonds8

About 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid

1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125457) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125457
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)CCCCCN)CC1
InChIInChI=1S/C15H28N2O3/c1-2-7-15(14(19)20)8-11-17(12-9-15)13(18)6-4-3-5-10-16/h2-12,16H2,1H3,(H,19,20)
InChIKeyBPTGENIXUHYOOH-UHFFFAOYSA-N
XLogP2.00
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.00
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

1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-(6-aminohexanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55165176
1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63126073
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid (CID 63125457) is 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)CCCCCN)CC1.
What is the InChIKey of 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is BPTGENIXUHYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-7-15(14(19)20)8-11-17(12-9-15)13(18)6-4-3-5-10-16/h2-12,16H2,1H3,(H,19,20).
What are the key properties of 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid?
1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).