3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid

C23H30N2O3 — CID 118759116

IUPAC3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CN(Cc2cccc3ccccc23)CC[C@H]1N1CCOCC1
InChIInChI=1S/C23H30N2O3/c26-23(27)9-8-20-17-24(11-10-22(20)25-12-14-28-15-13-25)16-19-6-3-5-18-4-1-2-7-21(18)19/h1-7,20,22H,8-17H2,(H,26,27)/t20-,22+/m0/s1
InChIKeyWNHSVTHLLWBQBY-RBBKRZOGSA-N
MW382.50 g/mol
LogP3.23
Rot. Bonds6

About 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid

3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid (PubChem CID 118759116) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid
PubChem CID118759116
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CN(Cc2cccc3ccccc23)CC[C@H]1N1CCOCC1
InChIInChI=1S/C23H30N2O3/c26-23(27)9-8-20-17-24(11-10-22(20)25-12-14-28-15-13-25)16-19-6-3-5-18-4-1-2-7-21(18)19/h1-7,20,22H,8-17H2,(H,26,27)/t20-,22+/m0/s1
InChIKeyWNHSVTHLLWBQBY-RBBKRZOGSA-N
XLogP3.23
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R,4S)-1-[(1-methylindol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72913178
N-[2-(4-methoxyphenyl)ethyl]-3-[(3R,4S)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanamide
CID 133137901
3-[(3S,4R)-1-(2-methylpropyl)-4-morpholin-4-ylpiperidin-3-yl]-N-(naphthalen-1-ylmethyl)propanamide
CID 118754967
3-[(3S,4R)-1-benzyl-4-morpholin-4-ylpiperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 28739752
3-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72896915
3-[(3R,4S)-1-[(2-ethylpyrimidin-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72909440
3-[(3R,4S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72853049
methyl 3-[(3R,4S)-4-morpholin-4-yl-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanoate
CID 133122136
3-[(3R,4S)-1-[2-(2-methoxyphenyl)acetyl]-4-morpholin-4-ylpiperidin-3-yl]propanoic acid
CID 72842462
3-[(3S,4R)-1-[(2-chlorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 29150657
methyl 3-[(3S,4R)-1-[(2,6-difluorophenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 30852454
methyl 3-[(3S,4R)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-morpholin-4-ylpiperidin-3-yl]propanoate
CID 26336414

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid (CID 118759116) is 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CN(Cc2cccc3ccccc23)CC[C@H]1N1CCOCC1.
What is the InChIKey of 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid?
The InChIKey is WNHSVTHLLWBQBY-RBBKRZOGSA-N. The full InChI is InChI=1S/C23H30N2O3/c26-23(27)9-8-20-17-24(11-10-22(20)25-12-14-28-15-13-25)16-19-6-3-5-18-4-1-2-7-21(18)19/h1-7,20,22H,8-17H2,(H,26,27)/t20-,22+/m0/s1.
What are the key properties of 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid?
3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid has a molecular weight of 382.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-4-morpholin-4-yl-1-(naphthalen-1-ylmethyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 118759116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).