2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone

C16H30N4O — CID 62370097

IUPAC2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
SMILESO=C(CN1CCN(C2CCCC2)CC1)N1CCCNCC1
InChIInChI=1S/C16H30N4O/c21-16(20-8-3-6-17-7-9-20)14-18-10-12-19(13-11-18)15-4-1-2-5-15/h15,17H,1-14H2
InChIKeyCBPCWJXMUOLLCI-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.37
Rot. Bonds3

About 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone

2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone (PubChem CID 62370097) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
PubChem CID62370097
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
SMILESO=C(CN1CCN(C2CCCC2)CC1)N1CCCNCC1
InChIInChI=1S/C16H30N4O/c21-16(20-8-3-6-17-7-9-20)14-18-10-12-19(13-11-18)15-4-1-2-5-15/h15,17H,1-14H2
InChIKeyCBPCWJXMUOLLCI-UHFFFAOYSA-N
XLogP0.37
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 79937729
2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 170084161
3-(4-cyclopentyl-1,4-diazepan-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982571
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-piperazin-1-ylethanone
CID 55166951
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 54981545
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-(1,4-diazepan-1-yl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167161
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-piperazin-1-ylpropan-1-one
CID 79932789
(4-cyclopentylpiperazin-1-yl)-piperazin-1-ylmethanone
CID 55063692
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461
1-(1,4-diazepan-1-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79175503
1-(1,4-diazepan-1-yl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63611089

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone (CID 62370097) is 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone is O=C(CN1CCN(C2CCCC2)CC1)N1CCCNCC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone?
The InChIKey is CBPCWJXMUOLLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c21-16(20-8-3-6-17-7-9-20)14-18-10-12-19(13-11-18)15-4-1-2-5-15/h15,17H,1-14H2.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone?
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone has a molecular weight of 294.44 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 62370097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).