2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide

C22H40N4O2 — CID 127318912

IUPAC2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
SMILESCC(NC(=O)CN1CCCC(CN2CCCCC2C)C1)C(=O)N1CCCCC1
InChIInChI=1S/C22H40N4O2/c1-18-9-4-7-14-26(18)16-20-10-8-11-24(15-20)17-21(27)23-19(2)22(28)25-12-5-3-6-13-25/h18-20H,3-17H2,1-2H3,(H,23,27)
InChIKeyGVYZVQMHIOSGQT-UHFFFAOYSA-N
MW392.59 g/mol
LogP2.09
Rot. Bonds6

About 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide

2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide (PubChem CID 127318912) has the molecular formula C22H40N4O2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
PubChem CID127318912
Molecular FormulaC22H40N4O2
Molecular Weight392.59 g/mol
Exact Mass392.32
IUPAC Name2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
SMILESCC(NC(=O)CN1CCCC(CN2CCCCC2C)C1)C(=O)N1CCCCC1
InChIInChI=1S/C22H40N4O2/c1-18-9-4-7-14-26(18)16-20-10-8-11-24(15-20)17-21(27)23-19(2)22(28)25-12-5-3-6-13-25/h18-20H,3-17H2,1-2H3,(H,23,27)
InChIKeyGVYZVQMHIOSGQT-UHFFFAOYSA-N
XLogP2.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide (CID 127318912) is 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide is CC(NC(=O)CN1CCCC(CN2CCCCC2C)C1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide?
The InChIKey is GVYZVQMHIOSGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2/c1-18-9-4-7-14-26(18)16-20-10-8-11-24(15-20)17-21(27)23-19(2)22(28)25-12-5-3-6-13-25/h18-20H,3-17H2,1-2H3,(H,23,27).
What are the key properties of 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide?
2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide has a molecular weight of 392.59 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 127318912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).