1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid

C18H23NO3 — CID 124702036

IUPAC1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C18H23NO3/c20-17(19-10-8-14(9-11-19)18(21)22)12-15-6-3-5-13-4-1-2-7-16(13)15/h1-2,4,7,14-15H,3,5-6,8-12H2,(H,21,22)/t15-/m0/s1
InChIKeyUULUHIFUUTURQI-HNNXBMFYSA-N
MW301.39 g/mol
LogP2.82
Rot. Bonds3

About 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid

1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid (PubChem CID 124702036) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
PubChem CID124702036
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C18H23NO3/c20-17(19-10-8-14(9-11-19)18(21)22)12-15-6-3-5-13-4-1-2-7-16(13)15/h1-2,4,7,14-15H,3,5-6,8-12H2,(H,21,22)/t15-/m0/s1
InChIKeyUULUHIFUUTURQI-HNNXBMFYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 84588598
(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 119174002
2-[1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178470
4-hydroxy-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251534
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829
1-[2-[methyl(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236130
2-[(2R)-4-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]morpholin-2-yl]acetic acid
CID 124704916
2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
CID 86955748
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid
CID 114450996
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 95761963
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 97124240

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid (CID 124702036) is 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1.
What is the InChIKey of 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is UULUHIFUUTURQI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(19-10-8-14(9-11-19)18(21)22)12-15-6-3-5-13-4-1-2-7-16(13)15/h1-2,4,7,14-15H,3,5-6,8-12H2,(H,21,22)/t15-/m0/s1.
What are the key properties of 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid?
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 124702036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).