2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C20H38N4O — CID 58826212

IUPAC2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCCN(CC)C1CCN(CC(=O)N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C20H38N4O/c1-3-22(4-2)19-8-13-21(16-19)17-20(25)24-14-9-18(10-15-24)23-11-6-5-7-12-23/h18-19H,3-17H2,1-2H3
InChIKeyDLOMRKMQLBYGBJ-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.88
Rot. Bonds6

About 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 58826212) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID58826212
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCCN(CC)C1CCN(CC(=O)N2CCC(N3CCCCC3)CC2)C1
InChIInChI=1S/C20H38N4O/c1-3-22(4-2)19-8-13-21(16-19)17-20(25)24-14-9-18(10-15-24)23-11-6-5-7-12-23/h18-19H,3-17H2,1-2H3
InChIKeyDLOMRKMQLBYGBJ-UHFFFAOYSA-N
XLogP1.88
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 58826212) is 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CCN(CC)C1CCN(CC(=O)N2CCC(N3CCCCC3)CC2)C1.
What is the InChIKey of 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is DLOMRKMQLBYGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-3-22(4-2)19-8-13-21(16-19)17-20(25)24-14-9-18(10-15-24)23-11-6-5-7-12-23/h18-19H,3-17H2,1-2H3.
What are the key properties of 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 350.55 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)pyrrolidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58826212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).