3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione

C25H43N3O3 — CID 21053660

IUPAC3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione
SMILESCC1CCN(C(=O)CC(C)(CC(=O)N2CCC(C)CC2)C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C25H43N3O3/c1-19-5-11-26(12-6-19)22(29)17-25(4,24(31)28-15-9-21(3)10-16-28)18-23(30)27-13-7-20(2)8-14-27/h19-21H,5-18H2,1-4H3
InChIKeyOAVAOXXPQCXGOG-UHFFFAOYSA-N
MW433.64 g/mol
LogP3.55
Rot. Bonds5

About 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione

3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione (PubChem CID 21053660) has the molecular formula C25H43N3O3 and a molecular weight of 433.64 g/mol. Its IUPAC name is 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione.

Molecular Properties

Compound Name3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione
PubChem CID21053660
Molecular FormulaC25H43N3O3
Molecular Weight433.64 g/mol
Exact Mass433.33
IUPAC Name3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione
SMILESCC1CCN(C(=O)CC(C)(CC(=O)N2CCC(C)CC2)C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C25H43N3O3/c1-19-5-11-26(12-6-19)22(29)17-25(4,24(31)28-15-9-21(3)10-16-28)18-23(30)27-13-7-20(2)8-14-27/h19-21H,5-18H2,1-4H3
InChIKeyOAVAOXXPQCXGOG-UHFFFAOYSA-N
XLogP3.55
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione?
The IUPAC name of 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione (CID 21053660) is 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione.
What is the SMILES notation for 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione?
The canonical SMILES for 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione is CC1CCN(C(=O)CC(C)(CC(=O)N2CCC(C)CC2)C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione?
The InChIKey is OAVAOXXPQCXGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O3/c1-19-5-11-26(12-6-19)22(29)17-25(4,24(31)28-15-9-21(3)10-16-28)18-23(30)27-13-7-20(2)8-14-27/h19-21H,5-18H2,1-4H3.
What are the key properties of 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione?
3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione has a molecular weight of 433.64 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-methylpiperidine-1-carbonyl)-1,5-bis(4-methylpiperidin-1-yl)pentane-1,5-dione is sourced from PubChem (CID 21053660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).