1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid

C19H25NO3 — CID 82183559

IUPAC1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid
SMILESO=C(CCN1CCCCC1C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H25NO3/c21-18(10-12-20-11-4-3-7-17(20)19(22)23)16-9-8-14-5-1-2-6-15(14)13-16/h8-9,13,17H,1-7,10-12H2,(H,22,23)
InChIKeyPONUPRMRNRKLHV-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.08
Rot. Bonds5

About 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid

1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid (PubChem CID 82183559) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid
PubChem CID82183559
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid
SMILESO=C(CCN1CCCCC1C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H25NO3/c21-18(10-12-20-11-4-3-7-17(20)19(22)23)16-9-8-14-5-1-2-6-15(14)13-16/h8-9,13,17H,1-7,10-12H2,(H,22,23)
InChIKeyPONUPRMRNRKLHV-UHFFFAOYSA-N
XLogP3.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
1-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 23337618
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid
CID 82224165
1-[3-(4-butoxyphenyl)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 82183436
(2R,3R)-2-methyl-1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 122114947
1-[3-(2-methoxy-5-methylphenyl)-3-oxopropyl]piperidine-2-carboxylic acid
CID 82183567
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 82104485
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 38391869
4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]morpholine-3-carboxylic acid
CID 120686796
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83045729
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid (CID 82183559) is 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid is O=C(CCN1CCCCC1C(=O)O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid?
The InChIKey is PONUPRMRNRKLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18(10-12-20-11-4-3-7-17(20)19(22)23)16-9-8-14-5-1-2-6-15(14)13-16/h8-9,13,17H,1-7,10-12H2,(H,22,23).
What are the key properties of 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid?
1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 82183559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).