1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid

C15H26N2O3 — CID 63135804

IUPAC1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)N2CCCC2C)C1
InChIInChI=1S/C15H26N2O3/c1-3-7-15(13(18)19)8-5-9-16(11-15)14(20)17-10-4-6-12(17)2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyYHCOPRXQDKTWNC-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63135804) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63135804
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)N2CCCC2C)C1
InChIInChI=1S/C15H26N2O3/c1-3-7-15(13(18)19)8-5-9-16(11-15)14(20)17-10-4-6-12(17)2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyYHCOPRXQDKTWNC-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480
1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(cycloheptanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138101
1-(2-methylcyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 107175461
1-(2-methylpyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978272
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
3-ethyl-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 63136615
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63135804) is 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)N2CCCC2C)C1.
What is the InChIKey of 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is YHCOPRXQDKTWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-7-15(13(18)19)8-5-9-16(11-15)14(20)17-10-4-6-12(17)2/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).