2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C23H42N4O — CID 58826296

IUPAC2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC1CCN(C2CCN(CC(=O)N3CCC(N4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C23H42N4O/c1-20-5-15-26(16-6-20)21-7-13-24(14-8-21)19-23(28)27-17-9-22(10-18-27)25-11-3-2-4-12-25/h20-22H,2-19H2,1H3
InChIKeyRXUUYKNVJCCBAU-UHFFFAOYSA-N
MW390.62 g/mol
LogP2.66
Rot. Bonds4

About 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 58826296) has the molecular formula C23H42N4O and a molecular weight of 390.62 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID58826296
Molecular FormulaC23H42N4O
Molecular Weight390.62 g/mol
Exact Mass390.34
IUPAC Name2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCC1CCN(C2CCN(CC(=O)N3CCC(N4CCCCC4)CC3)CC2)CC1
InChIInChI=1S/C23H42N4O/c1-20-5-15-26(16-6-20)21-7-13-24(14-8-21)19-23(28)27-17-9-22(10-18-27)25-11-3-2-4-12-25/h20-22H,2-19H2,1H3
InChIKeyRXUUYKNVJCCBAU-UHFFFAOYSA-N
XLogP2.66
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 58826296) is 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is CC1CCN(C2CCN(CC(=O)N3CCC(N4CCCCC4)CC3)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is RXUUYKNVJCCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O/c1-20-5-15-26(16-6-20)21-7-13-24(14-8-21)19-23(28)27-17-9-22(10-18-27)25-11-3-2-4-12-25/h20-22H,2-19H2,1H3.
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 390.62 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58826296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).