1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid

C16H28N2O3 — CID 63126194

IUPAC1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-6-16(14(19)20)7-10-17(11-8-16)15(21)18-9-4-5-13(2)12-18/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyLLHSIUIGBIANEO-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.81
Rot. Bonds3

About 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126194) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126194
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-6-16(14(19)20)7-10-17(11-8-16)15(21)18-9-4-5-13(2)12-18/h13H,3-12H2,1-2H3,(H,19,20)
InChIKeyLLHSIUIGBIANEO-UHFFFAOYSA-N
XLogP2.81
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
1-(4-methylazepane-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978424
(3-methylpiperidin-1-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116657829
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66371677
1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145607
1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
[4-(ethylamino)piperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79152580
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 63126194) is 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is LLHSIUIGBIANEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-6-16(14(19)20)7-10-17(11-8-16)15(21)18-9-4-5-13(2)12-18/h13H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).