4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one

C16H28N4O2 — CID 134789946

IUPAC4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
SMILESCN1CCC(C(=O)N2CCN(C3CCNCC3)C(=O)C2)CC1
InChIInChI=1S/C16H28N4O2/c1-18-8-4-13(5-9-18)16(22)19-10-11-20(15(21)12-19)14-2-6-17-7-3-14/h13-14,17H,2-12H2,1H3
InChIKeyQESXUUQDJHWRQD-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.25
Rot. Bonds2

About 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one

4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one (PubChem CID 134789946) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
PubChem CID134789946
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
SMILESCN1CCC(C(=O)N2CCN(C3CCNCC3)C(=O)C2)CC1
InChIInChI=1S/C16H28N4O2/c1-18-8-4-13(5-9-18)16(22)19-10-11-20(15(21)12-19)14-2-6-17-7-3-14/h13-14,17H,2-12H2,1H3
InChIKeyQESXUUQDJHWRQD-UHFFFAOYSA-N
XLogP-0.25
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one?
The IUPAC name of 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one (CID 134789946) is 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one.
What is the SMILES notation for 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one?
The canonical SMILES for 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one is CN1CCC(C(=O)N2CCN(C3CCNCC3)C(=O)C2)CC1.
What is the InChIKey of 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one?
The InChIKey is QESXUUQDJHWRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-18-8-4-13(5-9-18)16(22)19-10-11-20(15(21)12-19)14-2-6-17-7-3-14/h13-14,17H,2-12H2,1H3.
What are the key properties of 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one?
4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one has a molecular weight of 308.43 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one is sourced from PubChem (CID 134789946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).