1-(azocan-1-yl)-2-phenylpentan-1-one

C18H27NO — CID 55354834

IUPAC1-(azocan-1-yl)-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCCCCCC1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-2-11-17(16-12-7-6-8-13-16)18(20)19-14-9-4-3-5-10-15-19/h6-8,12-13,17H,2-5,9-11,14-15H2,1H3
InChIKeyKHFFSLYCLCLVBR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.36
Rot. Bonds4

About 1-(azocan-1-yl)-2-phenylpentan-1-one

1-(azocan-1-yl)-2-phenylpentan-1-one (PubChem CID 55354834) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-phenylpentan-1-one.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-phenylpentan-1-one
PubChem CID55354834
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(azocan-1-yl)-2-phenylpentan-1-one
SMILESCCCC(C(=O)N1CCCCCCC1)c1ccccc1
InChIInChI=1S/C18H27NO/c1-2-11-17(16-12-7-6-8-13-16)18(20)19-14-9-4-3-5-10-15-19/h6-8,12-13,17H,2-5,9-11,14-15H2,1H3
InChIKeyKHFFSLYCLCLVBR-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
1-(4-cyclopentylpiperazin-1-yl)-2-phenylpentan-1-one
CID 55584335
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
4-(2-phenylpentanoyl)piperazine-1-sulfonamide
CID 56786878
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
(2S)-2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-one
CID 98694188
2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-one
CID 126777762
4-(2-phenylpentanoyl)piperazin-2-one
CID 42910023
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
2-[4-(hydroxymethyl)phenyl]-1-piperidin-1-ylhexan-1-one
CID 67329090
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-phenylpentan-1-one?
The IUPAC name of 1-(azocan-1-yl)-2-phenylpentan-1-one (CID 55354834) is 1-(azocan-1-yl)-2-phenylpentan-1-one.
What is the SMILES notation for 1-(azocan-1-yl)-2-phenylpentan-1-one?
The canonical SMILES for 1-(azocan-1-yl)-2-phenylpentan-1-one is CCCC(C(=O)N1CCCCCCC1)c1ccccc1.
What is the InChIKey of 1-(azocan-1-yl)-2-phenylpentan-1-one?
The InChIKey is KHFFSLYCLCLVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-11-17(16-12-7-6-8-13-16)18(20)19-14-9-4-3-5-10-15-19/h6-8,12-13,17H,2-5,9-11,14-15H2,1H3.
What are the key properties of 1-(azocan-1-yl)-2-phenylpentan-1-one?
1-(azocan-1-yl)-2-phenylpentan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-phenylpentan-1-one is sourced from PubChem (CID 55354834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).