1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone

C20H38N4O — CID 57442410

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-3-22(4-2)19-9-11-21(12-10-19)17-20(25)24-15-13-23(14-16-24)18-7-5-6-8-18/h18-19H,3-17H2,1-2H3
InChIKeyFAJZRNOZVPWGNT-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.88
Rot. Bonds6

About 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone (PubChem CID 57442410) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone
PubChem CID57442410
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-3-22(4-2)19-9-11-21(12-10-19)17-20(25)24-15-13-23(14-16-24)18-7-5-6-8-18/h18-19H,3-17H2,1-2H3
InChIKeyFAJZRNOZVPWGNT-UHFFFAOYSA-N
XLogP1.88
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone (CID 57442410) is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone is CCN(CC)C1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone?
The InChIKey is FAJZRNOZVPWGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-3-22(4-2)19-9-11-21(12-10-19)17-20(25)24-15-13-23(14-16-24)18-7-5-6-8-18/h18-19H,3-17H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone has a molecular weight of 350.55 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-(diethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 57442410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).