5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one

C22H40N2O2 — CID 138478863

IUPAC5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one
SMILESCC(=O)N1CCCC(C(C)CCC(C)C(=O)N2CCCC(C(C)C)C2)C1
InChIInChI=1S/C22H40N2O2/c1-16(2)20-8-6-13-24(14-20)22(26)18(4)11-10-17(3)21-9-7-12-23(15-21)19(5)25/h16-18,20-21H,6-15H2,1-5H3
InChIKeyVBDJPOBXLLPVQB-UHFFFAOYSA-N
MW364.57 g/mol
LogP4.19
Rot. Bonds6

About 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one

5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one (PubChem CID 138478863) has the molecular formula C22H40N2O2 and a molecular weight of 364.57 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one
PubChem CID138478863
Molecular FormulaC22H40N2O2
Molecular Weight364.57 g/mol
Exact Mass364.31
IUPAC Name5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one
SMILESCC(=O)N1CCCC(C(C)CCC(C)C(=O)N2CCCC(C(C)C)C2)C1
InChIInChI=1S/C22H40N2O2/c1-16(2)20-8-6-13-24(14-20)22(26)18(4)11-10-17(3)21-9-7-12-23(15-21)19(5)25/h16-18,20-21H,6-15H2,1-5H3
InChIKeyVBDJPOBXLLPVQB-UHFFFAOYSA-N
XLogP4.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.57
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one (CID 138478863) is 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one is CC(=O)N1CCCC(C(C)CCC(C)C(=O)N2CCCC(C(C)C)C2)C1.
What is the InChIKey of 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one?
The InChIKey is VBDJPOBXLLPVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O2/c1-16(2)20-8-6-13-24(14-20)22(26)18(4)11-10-17(3)21-9-7-12-23(15-21)19(5)25/h16-18,20-21H,6-15H2,1-5H3.
What are the key properties of 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one?
5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one has a molecular weight of 364.57 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylpiperidin-3-yl)-2-methyl-1-(3-propan-2-ylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 138478863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).