3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride

C16H23ClN2O2 — CID 119699766

IUPAC3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCC(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-12(17)11-15(19)18-9-7-14(8-10-18)16(20)13-5-3-2-4-6-13;/h2-6,12,14H,7-11,17H2,1H3;1H
InChIKeyPRRQRFKXBPZQCA-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.27
Rot. Bonds4

About 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride

3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride (PubChem CID 119699766) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
PubChem CID119699766
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCC(C(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-12(17)11-15(19)18-9-7-14(8-10-18)16(20)13-5-3-2-4-6-13;/h2-6,12,14H,7-11,17H2,1H3;1H
InChIKeyPRRQRFKXBPZQCA-UHFFFAOYSA-N
XLogP2.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
(2S)-2-amino-1-(4-benzoylpiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 119699780
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119699755
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
CID 119708809
1-(3-benzoylpiperidin-1-yl)-3-methylbutan-1-one
CID 110394462
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119814868
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119276681
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride (CID 119699766) is 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride is CC(N)CC(=O)N1CCC(C(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride?
The InChIKey is PRRQRFKXBPZQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-12(17)11-15(19)18-9-7-14(8-10-18)16(20)13-5-3-2-4-6-13;/h2-6,12,14H,7-11,17H2,1H3;1H.
What are the key properties of 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride?
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119699766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).