1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid

C15H25NO3 — CID 114421123

IUPAC1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CCC2CCCC2)C(C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-11-8-9-16(13(10-11)15(18)19)14(17)7-6-12-4-2-3-5-12/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyIPNZQLPDZIIRGD-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds4

About 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid

1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421123) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114421123
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CCC2CCCC2)C(C(=O)O)C1
InChIInChI=1S/C15H25NO3/c1-11-8-9-16(13(10-11)15(18)19)14(17)7-6-12-4-2-3-5-12/h11-13H,2-10H2,1H3,(H,18,19)
InChIKeyIPNZQLPDZIIRGD-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
1-(3-cyclohexylpropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742115
4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
CID 115867385
1-(3-cyclobutylpropanoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534374
4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
CID 114421923
4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761
1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 167778785
1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119356339
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
4-methyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 114421064

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid (CID 114421123) is 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)CCC2CCCC2)C(C(=O)O)C1.
What is the InChIKey of 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is IPNZQLPDZIIRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-8-9-16(13(10-11)15(18)19)14(17)7-6-12-4-2-3-5-12/h11-13H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid?
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).