1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid

C17H17NO3 — CID 7131654

IUPAC1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H17NO3/c19-16(18-10-8-13(9-11-18)17(20)21)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,20,21)
InChIKeyXAEDBDNELKMGIZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.78
Rot. Bonds2

About 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid

1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 7131654) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID7131654
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H17NO3/c19-16(18-10-8-13(9-11-18)17(20)21)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,20,21)
InChIKeyXAEDBDNELKMGIZ-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
Ethyl 6-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}hexanoate
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1-(Naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 16226845
2-(5-Selenocyanato-pentyl)-benzo[de]isoquinoline 1,3-dione
CID 11983313
Naphthalen-1-yl(piperidin-1-yl)methanone
CID 229390
[1-(4-Methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741902

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid (CID 7131654) is 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is XAEDBDNELKMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(18-10-8-13(9-11-18)17(20)21)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8-11H2,(H,20,21).
What are the key properties of 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid?
1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 7131654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).