4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one

C14H27N3O2 — CID 120565746

IUPAC4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-12(15)2-3-14(18)17-8-6-16(7-9-17)13-4-10-19-11-5-13/h12-13H,2-11,15H2,1H3
InChIKeyMTIXTSBSRARPGW-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds4

About 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one

4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one (PubChem CID 120565746) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
PubChem CID120565746
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-12(15)2-3-14(18)17-8-6-16(7-9-17)13-4-10-19-11-5-13/h12-13H,2-11,15H2,1H3
InChIKeyMTIXTSBSRARPGW-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
CID 120565731
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 79193090
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
8-amino-1-[4-(1-azacyclohept-4-yn-1-yl)piperidin-1-yl]nonan-1-one
CID 167071443
2-amino-2-methyl-1-[4-(oxan-4-yl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119891927
1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 131933898

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one (CID 120565746) is 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one is CC(N)CCC(=O)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one?
The InChIKey is MTIXTSBSRARPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(15)2-3-14(18)17-8-6-16(7-9-17)13-4-10-19-11-5-13/h12-13H,2-11,15H2,1H3.
What are the key properties of 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one?
4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 120565746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).