1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione

C17H30N2O2 — CID 4576685

IUPAC1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione
SMILESCC1CCCN(C(=O)CCCC(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C17H30N2O2/c1-14-6-4-10-18(12-14)16(20)8-3-9-17(21)19-11-5-7-15(2)13-19/h14-15H,3-13H2,1-2H3
InChIKeyQVZYSTMHEAEKHG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.67
Rot. Bonds4

About 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione

1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione (PubChem CID 4576685) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione
PubChem CID4576685
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione
SMILESCC1CCCN(C(=O)CCCC(=O)N2CCCC(C)C2)C1
InChIInChI=1S/C17H30N2O2/c1-14-6-4-10-18(12-14)16(20)8-3-9-17(21)19-11-5-7-15(2)13-19/h14-15H,3-13H2,1-2H3
InChIKeyQVZYSTMHEAEKHG-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 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione?
The IUPAC name of 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione (CID 4576685) is 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione.
What is the SMILES notation for 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione?
The canonical SMILES for 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione is CC1CCCN(C(=O)CCCC(=O)N2CCCC(C)C2)C1.
What is the InChIKey of 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione?
The InChIKey is QVZYSTMHEAEKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14-6-4-10-18(12-14)16(20)8-3-9-17(21)19-11-5-7-15(2)13-19/h14-15H,3-13H2,1-2H3.
What are the key properties of 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione?
1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione 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 1,5-bis(3-methylpiperidin-1-yl)pentane-1,5-dione is sourced from PubChem (CID 4576685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).