1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone

C17H26N2O — CID 43224633

IUPAC1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
SMILESCCCC(NC1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-7-17(15-8-5-4-6-9-15)18-16-10-12-19(13-11-16)14(2)20/h4-6,8-9,16-18H,3,7,10-13H2,1-2H3
InChIKeyQPDWIMISEULXIV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone

1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone (PubChem CID 43224633) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
PubChem CID43224633
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
SMILESCCCC(NC1CCN(C(C)=O)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-7-17(15-8-5-4-6-9-15)18-16-10-12-19(13-11-16)14(2)20/h4-6,8-9,16-18H,3,7,10-13H2,1-2H3
InChIKeyQPDWIMISEULXIV-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-phenylbutylamino)piperidine-1-carboxamide
CID 43785944
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 9276310
1-[4-[(2,2-dimethyl-1-phenylpropyl)amino]piperidin-1-yl]ethanone
CID 43783246
N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
CID 103561357
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
N-(1-phenylbutyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195150

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone (CID 43224633) is 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone is CCCC(NC1CCN(C(C)=O)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone?
The InChIKey is QPDWIMISEULXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-7-17(15-8-5-4-6-9-15)18-16-10-12-19(13-11-16)14(2)20/h4-6,8-9,16-18H,3,7,10-13H2,1-2H3.
What are the key properties of 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone?
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone has a molecular weight of 274.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43224633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).