1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid

C20H29NO3 — CID 56879985

IUPAC1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(CCCc2ccccc2)CCN(CC2CCOC2)CC1
InChIInChI=1S/C20H29NO3/c22-19(23)20(9-4-7-17-5-2-1-3-6-17)10-12-21(13-11-20)15-18-8-14-24-16-18/h1-3,5-6,18H,4,7-16H2,(H,22,23)
InChIKeyRECWJSFBZHOVPM-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.21
Rot. Bonds7

About 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid

1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid (PubChem CID 56879985) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
PubChem CID56879985
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(CCCc2ccccc2)CCN(CC2CCOC2)CC1
InChIInChI=1S/C20H29NO3/c22-19(23)20(9-4-7-17-5-2-1-3-6-17)10-12-21(13-11-20)15-18-8-14-24-16-18/h1-3,5-6,18H,4,7-16H2,(H,22,23)
InChIKeyRECWJSFBZHOVPM-UHFFFAOYSA-N
XLogP3.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)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

3-(3-phenylpropyl)oxolane-3-carboxylic acid
CID 62738542
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid
CID 95862486
1-[1-methyl-4-(oxolan-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 56750982
4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
CID 70788551
1-(4-phenylbutyl)cyclobutane-1-carboxylic acid
CID 114334159
1-(4-benzylpiperidin-1-yl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]propan-1-one
CID 45242177
1-(oxan-3-ylmethyl)-4-phenylpiperidin-4-ol
CID 91840019
[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 124740652
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-methyl-4-(2-phenylethyl)piperidine-4-carboxylic acid
CID 10037618

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid (CID 56879985) is 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid is O=C(O)C1(CCCc2ccccc2)CCN(CC2CCOC2)CC1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid?
The InChIKey is RECWJSFBZHOVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-19(23)20(9-4-7-17-5-2-1-3-6-17)10-12-21(13-11-20)15-18-8-14-24-16-18/h1-3,5-6,18H,4,7-16H2,(H,22,23).
What are the key properties of 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid?
1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56879985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).