(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid

C15H25NO3 — CID 95017480

IUPAC(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-2-8-15(14(18)19)9-5-10-16(11-15)13(17)12-6-3-4-7-12/h12H,2-11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRUTKUCTUEBGKPC-OAHLLOKOSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds4

About (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid

(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 95017480) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID95017480
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H25NO3/c1-2-8-15(14(18)19)9-5-10-16(11-15)13(17)12-6-3-4-7-12/h12H,2-11H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRUTKUCTUEBGKPC-OAHLLOKOSA-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-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(3-methylpiperidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107068166
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135804

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid (CID 95017480) is (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid is CCC[C@@]1(C(=O)O)CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is RUTKUCTUEBGKPC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-8-15(14(18)19)9-5-10-16(11-15)13(17)12-6-3-4-7-12/h12H,2-11H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid?
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-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 (3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 95017480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).