3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one

C13H25N3O — CID 62543081

IUPAC3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCNCC1)C1CCCC1
InChIInChI=1S/C13H25N3O/c1-15(12-4-2-3-5-12)9-6-13(17)16-10-7-14-8-11-16/h12,14H,2-11H2,1H3
InChIKeyPSYYHDPBYOPHEG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.68
Rot. Bonds4

About 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one

3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 62543081) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID62543081
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCN(CCC(=O)N1CCNCC1)C1CCCC1
InChIInChI=1S/C13H25N3O/c1-15(12-4-2-3-5-12)9-6-13(17)16-10-7-14-8-11-16/h12,14H,2-11H2,1H3
InChIKeyPSYYHDPBYOPHEG-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
3-[methyl-(2-methylsulfonylcyclohexyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981947
3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60500884
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
CID 114818797
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
1-[4-[[3-(azetidin-1-yl)-3-oxopropyl]-methylamino]piperidin-1-yl]-3-methylbut-3-en-1-one
CID 145317118
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one (CID 62543081) is 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one is CN(CCC(=O)N1CCNCC1)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is PSYYHDPBYOPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(12-4-2-3-5-12)9-6-13(17)16-10-7-14-8-11-16/h12,14H,2-11H2,1H3.
What are the key properties of 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one?
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62543081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).