3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid

C15H28N2O2 — CID 63140519

IUPAC3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CCN2CCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-6-15(14(18)19)7-5-10-17(13-15)12-11-16-8-3-4-9-16/h2-13H2,1H3,(H,18,19)
InChIKeyKOIWECNRCTYJFV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.05
Rot. Bonds6

About 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid

3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid (PubChem CID 63140519) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
PubChem CID63140519
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CCN2CCCC2)C1
InChIInChI=1S/C15H28N2O2/c1-2-6-15(14(18)19)7-5-10-17(13-15)12-11-16-8-3-4-9-16/h2-13H2,1H3,(H,18,19)
InChIKeyKOIWECNRCTYJFV-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63141204
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
1-(4-cyano-4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 65254707
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[(4-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141029
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140743
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140609

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid (CID 63140519) is 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CCN2CCCC2)C1.
What is the InChIKey of 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid?
The InChIKey is KOIWECNRCTYJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-6-15(14(18)19)7-5-10-17(13-15)12-11-16-8-3-4-9-16/h2-13H2,1H3,(H,18,19).
What are the key properties of 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid?
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63140519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).