(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid

C17H17NO3 — CID 7131658

IUPAC(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H17NO3/c19-16(18-10-4-7-13(11-18)17(20)21)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,20,21)/t13-/m1/s1
InChIKeyRGSKNHMJQAGCOC-CYBMUJFWSA-N
MW283.33 g/mol
LogP2.78
Rot. Bonds2

About (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 7131658) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID7131658
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H17NO3/c19-16(18-10-4-7-13(11-18)17(20)21)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,20,21)/t13-/m1/s1
InChIKeyRGSKNHMJQAGCOC-CYBMUJFWSA-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

(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 154858593
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
CID 32609032
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid (CID 7131658) is (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RGSKNHMJQAGCOC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(18-10-4-7-13(11-18)17(20)21)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,20,21)/t13-/m1/s1.
What are the key properties of (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-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 (3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 7131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).