1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid

C20H29NO3 — CID 173212043

IUPAC1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCC(c2ccccc2)C2CCOCC2)C1
InChIInChI=1S/C20H29NO3/c22-20(23)18-7-4-11-21(15-18)12-8-19(16-5-2-1-3-6-16)17-9-13-24-14-10-17/h1-3,5-6,17-19H,4,7-15H2,(H,22,23)
InChIKeyWBKDTWWYRXTEGD-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.38
Rot. Bonds6

About 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid

1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid (PubChem CID 173212043) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid
PubChem CID173212043
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCC(c2ccccc2)C2CCOCC2)C1
InChIInChI=1S/C20H29NO3/c22-20(23)18-7-4-11-21(15-18)12-8-19(16-5-2-1-3-6-16)17-9-13-24-14-10-17/h1-3,5-6,17-19H,4,7-15H2,(H,22,23)
InChIKeyWBKDTWWYRXTEGD-UHFFFAOYSA-N
XLogP3.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-3,3-diphenylpropyl)piperidine-3-carboxylic acid;hydrochloride
CID 45261948
(3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylic acid
CID 22880169
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70230026
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
(3R)-1-[6-(N-phenylanilino)hexyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261987
1-(3-morpholin-4-ylpropyl)-N-phenylpiperidine-3-carboxamide
CID 56798820
4-(1-phenylpropyl)oxane
CID 155461106
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 11079073

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid (CID 173212043) is 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCC(c2ccccc2)C2CCOCC2)C1.
What is the InChIKey of 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid?
The InChIKey is WBKDTWWYRXTEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-20(23)18-7-4-11-21(15-18)12-8-19(16-5-2-1-3-6-16)17-9-13-24-14-10-17/h1-3,5-6,17-19H,4,7-15H2,(H,22,23).
What are the key properties of 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid?
1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-4-yl)-3-phenylpropyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 173212043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).