2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid

C19H25NO3 — CID 119178784

IUPAC2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H25NO3/c21-18(20-9-7-14(8-10-20)13-19(22)23)12-15-5-6-16-3-1-2-4-17(16)11-15/h5-6,11,14H,1-4,7-10,12-13H2,(H,22,23)
InChIKeyGFGCWCDWNPPUPP-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.82
Rot. Bonds4

About 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid (PubChem CID 119178784) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
PubChem CID119178784
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H25NO3/c21-18(20-9-7-14(8-10-20)13-19(22)23)12-15-5-6-16-3-1-2-4-17(16)11-15/h5-6,11,14H,1-4,7-10,12-13H2,(H,22,23)
InChIKeyGFGCWCDWNPPUPP-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 115746612
2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775126
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
2-[1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 119178808
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251957
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175564
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 119664009

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid (CID 119178784) is 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is GFGCWCDWNPPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18(20-9-7-14(8-10-20)13-19(22)23)12-15-5-6-16-3-1-2-4-17(16)11-15/h5-6,11,14H,1-4,7-10,12-13H2,(H,22,23).
What are the key properties of 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 315.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).