(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

C18H31N3O3 — CID 95318440

IUPAC(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H31N3O3/c1-15(18(23)21-10-12-24-13-11-21)19-6-8-20(9-7-19)17(22)14-16-4-2-3-5-16/h15-16H,2-14H2,1H3/t15-/m0/s1
InChIKeyKUVNICCITJNDCT-HNNXBMFYSA-N
MW337.46 g/mol
LogP0.96
Rot. Bonds4

About (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 95318440) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID95318440
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C18H31N3O3/c1-15(18(23)21-10-12-24-13-11-21)19-6-8-20(9-7-19)17(22)14-16-4-2-3-5-16/h15-16H,2-14H2,1H3/t15-/m0/s1
InChIKeyKUVNICCITJNDCT-HNNXBMFYSA-N
XLogP0.96
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-(4-propan-2-ylcyclohexyl)ethanone
CID 58394969
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552
2-(3-acetylpiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63847036
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
1-morpholin-4-yl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877474
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 63853962
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202553
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 95318440) is (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is KUVNICCITJNDCT-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-15(18(23)21-10-12-24-13-11-21)19-6-8-20(9-7-19)17(22)14-16-4-2-3-5-16/h15-16H,2-14H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one?
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 337.46 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 95318440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).