6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one

C24H46N2O — CID 70617723

IUPAC6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one
SMILESCCC(=O)C(C(C(C)C)N1CCC(C(C)C)CC1)N1CCC(C(C)C)CC1
InChIInChI=1S/C24H46N2O/c1-8-22(27)24(26-15-11-21(12-16-26)18(4)5)23(19(6)7)25-13-9-20(10-14-25)17(2)3/h17-21,23-24H,8-16H2,1-7H3
InChIKeyFUGFSLWNGZFESV-UHFFFAOYSA-N
MW378.65 g/mol
LogP5.09
Rot. Bonds8

About 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one

6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one (PubChem CID 70617723) has the molecular formula C24H46N2O and a molecular weight of 378.65 g/mol. Its IUPAC name is 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one.

Molecular Properties

Compound Name6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one
PubChem CID70617723
Molecular FormulaC24H46N2O
Molecular Weight378.65 g/mol
Exact Mass378.36
IUPAC Name6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one
SMILESCCC(=O)C(C(C(C)C)N1CCC(C(C)C)CC1)N1CCC(C(C)C)CC1
InChIInChI=1S/C24H46N2O/c1-8-22(27)24(26-15-11-21(12-16-26)18(4)5)23(19(6)7)25-13-9-20(10-14-25)17(2)3/h17-21,23-24H,8-16H2,1-7H3
InChIKeyFUGFSLWNGZFESV-UHFFFAOYSA-N
XLogP5.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one?
The IUPAC name of 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one (CID 70617723) is 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one.
What is the SMILES notation for 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one?
The canonical SMILES for 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one is CCC(=O)C(C(C(C)C)N1CCC(C(C)C)CC1)N1CCC(C(C)C)CC1.
What is the InChIKey of 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one?
The InChIKey is FUGFSLWNGZFESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O/c1-8-22(27)24(26-15-11-21(12-16-26)18(4)5)23(19(6)7)25-13-9-20(10-14-25)17(2)3/h17-21,23-24H,8-16H2,1-7H3.
What are the key properties of 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one?
6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one has a molecular weight of 378.65 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5-bis(4-propan-2-ylpiperidin-1-yl)heptan-3-one is sourced from PubChem (CID 70617723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).