1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone

C20H39N5O — CID 57442389

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone
SMILESCN(C)CCCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C20H39N5O/c1-21(2)8-5-9-22-10-12-23(13-11-22)18-20(26)25-16-14-24(15-17-25)19-6-3-4-7-19/h19H,3-18H2,1-2H3
InChIKeyAQGARTHEQVKFKA-UHFFFAOYSA-N
MW365.57 g/mol
LogP0.64
Rot. Bonds7

About 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone (PubChem CID 57442389) has the molecular formula C20H39N5O and a molecular weight of 365.57 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone
PubChem CID57442389
Molecular FormulaC20H39N5O
Molecular Weight365.57 g/mol
Exact Mass365.32
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone
SMILESCN(C)CCCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C20H39N5O/c1-21(2)8-5-9-22-10-12-23(13-11-22)18-20(26)25-16-14-24(15-17-25)19-6-3-4-7-19/h19H,3-18H2,1-2H3
InChIKeyAQGARTHEQVKFKA-UHFFFAOYSA-N
XLogP0.64
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 1439627
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CID 3226817
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CID 3229438
CID 3229438
CID 3229542
CID 3229542
CID 3229558
CID 3229558
CID 97803391
CID 97803391
CID 57781957
CID 57781957
CID 121529
CID 121529
CID 24842222
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CID 3229562
CID 3229562

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone (CID 57442389) is 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone is CN(C)CCCN1CCN(CC(=O)N2CCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone?
The InChIKey is AQGARTHEQVKFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O/c1-21(2)8-5-9-22-10-12-23(13-11-22)18-20(26)25-16-14-24(15-17-25)19-6-3-4-7-19/h19H,3-18H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone has a molecular weight of 365.57 g/mol, XLogP of 0.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 57442389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).