4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid

C21H26N2O3 — CID 56892945

IUPAC4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3ccccc3c2)CCN(C2CCCNC2)CC1
InChIInChI=1S/C21H26N2O3/c24-20(25)21(9-12-23(13-10-21)18-6-3-11-22-15-18)26-19-8-7-16-4-1-2-5-17(16)14-19/h1-2,4-5,7-8,14,18,22H,3,6,9-13,15H2,(H,24,25)
InChIKeyJCNTUGDFUJCWNI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.89
Rot. Bonds4

About 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid

4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid (PubChem CID 56892945) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid
PubChem CID56892945
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3ccccc3c2)CCN(C2CCCNC2)CC1
InChIInChI=1S/C21H26N2O3/c24-20(25)21(9-12-23(13-10-21)18-6-3-11-22-15-18)26-19-8-7-16-4-1-2-5-17(16)14-19/h1-2,4-5,7-8,14,18,22H,3,6,9-13,15H2,(H,24,25)
InChIKeyJCNTUGDFUJCWNI-UHFFFAOYSA-N
XLogP2.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylphenoxy)-1-cycloheptylpiperidine-4-carboxylic acid
CID 46993340
4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid
CID 95862486
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
4-phenoxypiperidine-4-carboxylic acid;hydrochloride
CID 146675465
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
1-[(4-cyano-5-methyl-1H-pyrrol-2-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
CID 70719777
1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
CID 70710195
1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
CID 94678404
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 66523324
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid (CID 56892945) is 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid is O=C(O)C1(Oc2ccc3ccccc3c2)CCN(C2CCCNC2)CC1.
What is the InChIKey of 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid?
The InChIKey is JCNTUGDFUJCWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-20(25)21(9-12-23(13-10-21)18-6-3-11-22-15-18)26-19-8-7-16-4-1-2-5-17(16)14-19/h1-2,4-5,7-8,14,18,22H,3,6,9-13,15H2,(H,24,25).
What are the key properties of 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid?
4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid has a molecular weight of 354.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56892945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).