4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid

C21H25NO4 — CID 95862486

IUPAC4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3ccccc3c2)CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C21H25NO4/c23-20(24)21(8-10-22(11-9-21)14-16-7-12-25-15-16)26-19-6-5-17-3-1-2-4-18(17)13-19/h1-6,13,16H,7-12,14-15H2,(H,23,24)/t16-/m1/s1
InChIKeyBHWQMSHSFIGZJO-MRXNPFEDSA-N
MW355.43 g/mol
LogP3.17
Rot. Bonds5

About 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid

4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 95862486) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid
PubChem CID95862486
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3ccccc3c2)CCN(C[C@H]2CCOC2)CC1
InChIInChI=1S/C21H25NO4/c23-20(24)21(8-10-22(11-9-21)14-16-7-12-25-15-16)26-19-6-5-17-3-1-2-4-18(17)13-19/h1-6,13,16H,7-12,14-15H2,(H,23,24)/t16-/m1/s1
InChIKeyBHWQMSHSFIGZJO-MRXNPFEDSA-N
XLogP3.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
CID 70788551
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890
1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 56879985
4-naphthalen-2-yloxy-1-piperidin-3-ylpiperidine-4-carboxylic acid
CID 56892945
1-[(2-ethylpyrimidin-5-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
CID 70710195
1-[(4-cyano-5-methyl-1H-pyrrol-2-yl)methyl]-4-naphthalen-2-yloxypiperidine-4-carboxylic acid
CID 70719777
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 124740652
4-naphthalen-2-yloxy-1-[(1-prop-2-enylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 70774741
1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
CID 91840019
1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56916085
1-[1-methyl-4-[[(3S)-oxolan-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 95195325

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid (CID 95862486) is 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1(Oc2ccc3ccccc3c2)CCN(C[C@H]2CCOC2)CC1.
What is the InChIKey of 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is BHWQMSHSFIGZJO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO4/c23-20(24)21(8-10-22(11-9-21)14-16-7-12-25-15-16)26-19-6-5-17-3-1-2-4-18(17)13-19/h1-6,13,16H,7-12,14-15H2,(H,23,24)/t16-/m1/s1.
What are the key properties of 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid?
4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 355.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95862486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).