1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one

C14H26N2O2 — CID 115277266

IUPAC1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
SMILESNC1CCCN(C(=O)CCCC2CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c15-13-4-2-8-16(11-13)14(17)5-1-3-12-6-9-18-10-7-12/h12-13H,1-11,15H2
InChIKeyXFASZPVVRSHSMI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one

1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one (PubChem CID 115277266) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
PubChem CID115277266
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
SMILESNC1CCCN(C(=O)CCCC2CCOCC2)C1
InChIInChI=1S/C14H26N2O2/c15-13-4-2-8-16(11-13)14(17)5-1-3-12-6-9-18-10-7-12/h12-13H,1-11,15H2
InChIKeyXFASZPVVRSHSMI-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 119493887
[1-(4-cyclopentylbutanoyl)piperidin-3-yl]methanesulfonamide
CID 71994818
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-cyclohexylbutan-1-one;hydrochloride
CID 119485378
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one (CID 115277266) is 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one is NC1CCCN(C(=O)CCCC2CCOCC2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one?
The InChIKey is XFASZPVVRSHSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-13-4-2-8-16(11-13)14(17)5-1-3-12-6-9-18-10-7-12/h12-13H,1-11,15H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one?
1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one is sourced from PubChem (CID 115277266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).