1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid

C18H19NO3 — CID 43822910

IUPAC1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H19NO3/c20-17(19-11-4-3-10-16(19)18(21)22)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2,(H,21,22)
InChIKeyQJZFUUZAIWCYQB-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.85
Rot. Bonds3

About 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid

1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid (PubChem CID 43822910) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
PubChem CID43822910
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H19NO3/c20-17(19-11-4-3-10-16(19)18(21)22)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2,(H,21,22)
InChIKeyQJZFUUZAIWCYQB-UHFFFAOYSA-N
XLogP2.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
1-(naphthalen-1-ylmethyl)piperidine-2-carboxylic acid
CID 5212584
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-2-carboxylic acid
CID 43239840
1-[2-(1-benzothiophen-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 85178324
(2S)-1-[2-(1-benzothiophen-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 10541446
1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 16789710
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 92650290
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
(2R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 99713717

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid (CID 43822910) is 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid?
The InChIKey is QJZFUUZAIWCYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17(19-11-4-3-10-16(19)18(21)22)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9,16H,3-4,10-12H2,(H,21,22).
What are the key properties of 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid?
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43822910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).