2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

C20H35N3O2 — CID 53193451

IUPAC2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-17(24)22-14-7-18(8-15-22)16-20(25)23-12-3-2-6-19(23)9-13-21-10-4-5-11-21/h18-19H,2-16H2,1H3
InChIKeyYCRRNQVVDCGVEL-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.50
Rot. Bonds5

About 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 53193451) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID53193451
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1
InChIInChI=1S/C20H35N3O2/c1-17(24)22-14-7-18(8-15-22)16-20(25)23-12-3-2-6-19(23)9-13-21-10-4-5-11-21/h18-19H,2-16H2,1H3
InChIKeyYCRRNQVVDCGVEL-UHFFFAOYSA-N
XLogP2.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (CID 53193451) is 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(CC(=O)N2CCCCC2CCN2CCCC2)CC1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is YCRRNQVVDCGVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-17(24)22-14-7-18(8-15-22)16-20(25)23-12-3-2-6-19(23)9-13-21-10-4-5-11-21/h18-19H,2-16H2,1H3.
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 349.52 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53193451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).