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

C20H38N4O — CID 58826210

IUPAC2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC1CCN(C2CCN(CC(=O)N3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-17(2)22-12-14-24(15-13-22)20(25)16-21-8-6-19(7-9-21)23-10-4-18(3)5-11-23/h17-19H,4-16H2,1-3H3
InChIKeyRUVNGKPDUCVXIU-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.74
Rot. Bonds4

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

2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 58826210) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID58826210
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC1CCN(C2CCN(CC(=O)N3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-17(2)22-12-14-24(15-13-22)20(25)16-21-8-6-19(7-9-21)23-10-4-18(3)5-11-23/h17-19H,4-16H2,1-3H3
InChIKeyRUVNGKPDUCVXIU-UHFFFAOYSA-N
XLogP1.74
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.74
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-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 58826210) is 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC1CCN(C2CCN(CC(=O)N3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is RUVNGKPDUCVXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-17(2)22-12-14-24(15-13-22)20(25)16-21-8-6-19(7-9-21)23-10-4-18(3)5-11-23/h17-19H,4-16H2,1-3H3.
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 350.55 g/mol, XLogP of 1.74, 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-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58826210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).