(3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one

C16H28N2O2 — CID 126710705

IUPAC(3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one
SMILESC[C@H]1CCCN(CC(C)(C)[C@@H]2CCCN(C)C2=O)C1=O
InChIInChI=1S/C16H28N2O2/c1-12-7-5-10-18(14(12)19)11-16(2,3)13-8-6-9-17(4)15(13)20/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyHPATZDAJPWBVJY-QWHCGFSZSA-N
MW280.41 g/mol
LogP2.14
Rot. Bonds3

About (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one

(3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one (PubChem CID 126710705) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one
PubChem CID126710705
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one
SMILESC[C@H]1CCCN(CC(C)(C)[C@@H]2CCCN(C)C2=O)C1=O
InChIInChI=1S/C16H28N2O2/c1-12-7-5-10-18(14(12)19)11-16(2,3)13-8-6-9-17(4)15(13)20/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyHPATZDAJPWBVJY-QWHCGFSZSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one?
The IUPAC name of (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one (CID 126710705) is (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one?
The canonical SMILES for (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one is C[C@H]1CCCN(CC(C)(C)[C@@H]2CCCN(C)C2=O)C1=O.
What is the InChIKey of (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one?
The InChIKey is HPATZDAJPWBVJY-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12-7-5-10-18(14(12)19)11-16(2,3)13-8-6-9-17(4)15(13)20/h12-13H,5-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one?
(3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one has a molecular weight of 280.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[2-methyl-2-[(3S)-1-methyl-2-oxopiperidin-3-yl]propyl]piperidin-2-one is sourced from PubChem (CID 126710705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).