1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid

C14H25NO4 — CID 63135724

IUPAC1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)OCC(C)C)C1
InChIInChI=1S/C14H25NO4/c1-4-6-14(12(16)17)7-5-8-15(10-14)13(18)19-9-11(2)3/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyZQFSHYCRKGFKDU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid

1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63135724) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63135724
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)OCC(C)C)C1
InChIInChI=1S/C14H25NO4/c1-4-6-14(12(16)17)7-5-8-15(10-14)13(18)19-9-11(2)3/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyZQFSHYCRKGFKDU-UHFFFAOYSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propylpiperidine-3-carboxylic acid
CID 63138201
1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid
CID 82012183
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
1-[(2-amino-2-oxoethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 55165305
1-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856
1-(but-3-yn-2-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 114418501
3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 107323806
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63135724) is 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)OCC(C)C)C1.
What is the InChIKey of 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is ZQFSHYCRKGFKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-6-14(12(16)17)7-5-8-15(10-14)13(18)19-9-11(2)3/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).