1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone

C14H26N2O — CID 62205259

IUPAC1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCCCC1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C14H26N2O/c1-2-4-12-6-9-16(10-7-12)14(17)11-13-5-3-8-15-13/h12-13,15H,2-11H2,1H3
InChIKeyMFMDJMDYCGKUOM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds4

About 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone

1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 62205259) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
PubChem CID62205259
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCCCC1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C14H26N2O/c1-2-4-12-6-9-16(10-7-12)14(17)11-13-5-3-8-15-13/h12-13,15H,2-11H2,1H3
InChIKeyMFMDJMDYCGKUOM-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone (CID 62205259) is 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone is CCCC1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is MFMDJMDYCGKUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-4-12-6-9-16(10-7-12)14(17)11-13-5-3-8-15-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 62205259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).