1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid

C15H28N2O3 — CID 82012183

IUPAC1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)CCC(C)CN)C1
InChIInChI=1S/C15H28N2O3/c1-3-7-15(14(19)20)8-4-9-17(11-15)13(18)6-5-12(2)10-16/h12H,3-11,16H2,1-2H3,(H,19,20)
InChIKeyAOBSCEUTNSLAOW-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.85
Rot. Bonds7

About 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid

1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 82012183) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID82012183
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)CCC(C)CN)C1
InChIInChI=1S/C15H28N2O3/c1-3-7-15(14(19)20)8-4-9-17(11-15)13(18)6-5-12(2)10-16/h12H,3-11,16H2,1-2H3,(H,19,20)
InChIKeyAOBSCEUTNSLAOW-UHFFFAOYSA-N
XLogP1.85
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135724
5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 82688893
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
CID 63138201
1-(4-ethoxy-4-oxobutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145461
1-(4-amino-3-methoxybutanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103155845
1-[butyl(ethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135500
1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid (CID 82012183) is 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)CCC(C)CN)C1.
What is the InChIKey of 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is AOBSCEUTNSLAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-7-15(14(19)20)8-4-9-17(11-15)13(18)6-5-12(2)10-16/h12H,3-11,16H2,1-2H3,(H,19,20).
What are the key properties of 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid?
1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 82012183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).