1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one

C20H31N3O3S — CID 110420641

IUPAC1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
SMILESO=C(CCCCc1cccs1)N1CCN(C(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C20H31N3O3S/c24-19(6-2-1-4-18-5-3-17-27-18)22-9-11-23(12-10-22)20(25)7-8-21-13-15-26-16-14-21/h3,5,17H,1-2,4,6-16H2
InChIKeyXDDAQFREIVVCSU-UHFFFAOYSA-N
MW393.55 g/mol
LogP1.85
Rot. Bonds8

About 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one

1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one (PubChem CID 110420641) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
PubChem CID110420641
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
SMILESO=C(CCCCc1cccs1)N1CCN(C(=O)CCN2CCOCC2)CC1
InChIInChI=1S/C20H31N3O3S/c24-19(6-2-1-4-18-5-3-17-27-18)22-9-11-23(12-10-22)20(25)7-8-21-13-15-26-16-14-21/h3,5,17H,1-2,4,6-16H2
InChIKeyXDDAQFREIVVCSU-UHFFFAOYSA-N
XLogP1.85
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
CID 110297724
1-[4-(2-bromoethyl)-1,4-diazepan-1-yl]-4-thiophen-2-ylbutan-1-one
CID 80665416
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110617956
1-(4-benzylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 78774501
4-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]morpholine
CID 60575640
1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110665574
1-(4-hydroxy-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 80706917
1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95325652
N-(2-morpholin-4-ylethoxy)-3-thiophen-2-ylpropanamide
CID 110642812
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one?
The IUPAC name of 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one (CID 110420641) is 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one?
The canonical SMILES for 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one is O=C(CCCCc1cccs1)N1CCN(C(=O)CCN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one?
The InChIKey is XDDAQFREIVVCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c24-19(6-2-1-4-18-5-3-17-27-18)22-9-11-23(12-10-22)20(25)7-8-21-13-15-26-16-14-21/h3,5,17H,1-2,4,6-16H2.
What are the key properties of 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one?
1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one has a molecular weight of 393.55 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylpropanoyl)piperazin-1-yl]-5-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 110420641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).