1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone

C17H30N2O2 — CID 20752246

IUPAC1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCCC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C17H30N2O2/c1-14(20)18-10-6-16(7-11-18)4-3-5-17-8-12-19(13-9-17)15(2)21/h16-17H,3-13H2,1-2H3
InChIKeyKAOIVSDKJYKCDH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone

1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone (PubChem CID 20752246) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone
PubChem CID20752246
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CCCC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C17H30N2O2/c1-14(20)18-10-6-16(7-11-18)4-3-5-17-8-12-19(13-9-17)15(2)21/h16-17H,3-13H2,1-2H3
InChIKeyKAOIVSDKJYKCDH-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone (CID 20752246) is 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CCCC2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone?
The InChIKey is KAOIVSDKJYKCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(20)18-10-6-16(7-11-18)4-3-5-17-8-12-19(13-9-17)15(2)21/h16-17H,3-13H2,1-2H3.
What are the key properties of 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone?
1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone has a molecular weight of 294.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-acetylpiperidin-4-yl)propyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 20752246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).