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

C18H23NO3 — CID 119174002

IUPAC(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)CC2CCCc3ccccc32)C1
InChIInChI=1S/C18H23NO3/c20-17(19-10-4-8-15(12-19)18(21)22)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15H,3-4,6-8,10-12H2,(H,21,22)/t14?,15-/m0/s1
InChIKeyAQIULXDSOUNHNK-LOACHALJSA-N
MW301.39 g/mol
LogP2.82
Rot. Bonds3

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

(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 119174002) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID119174002
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)CC2CCCc3ccccc32)C1
InChIInChI=1S/C18H23NO3/c20-17(19-10-4-8-15(12-19)18(21)22)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15H,3-4,6-8,10-12H2,(H,21,22)/t14?,15-/m0/s1
InChIKeyAQIULXDSOUNHNK-LOACHALJSA-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
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829
2-[1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178470
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 95761963
2-[(2R)-4-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]morpholin-2-yl]acetic acid
CID 124704916
4-hydroxy-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119251534
2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
CID 86955748
1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-N-[2-(prop-2-enoylamino)ethyl]piperidine-3-carboxamide
CID 154870929
(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 51942286
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95770230

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid (CID 119174002) is (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)CC2CCCc3ccccc32)C1.
What is the InChIKey of (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is AQIULXDSOUNHNK-LOACHALJSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(19-10-4-8-15(12-19)18(21)22)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15H,3-4,6-8,10-12H2,(H,21,22)/t14?,15-/m0/s1.
What are the key properties of (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-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 (3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119174002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).