3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid

C19H21N3O3 — CID 124702008

IUPAC3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C19H21N3O3/c23-17(24)9-8-14-5-4-10-22(13-14)19(25)16-11-20-18(21-12-16)15-6-2-1-3-7-15/h1-3,6-7,11-12,14H,4-5,8-10,13H2,(H,23,24)/t14-/m1/s1
InChIKeyQWVVJJIJDXNDCO-CQSZACIVSA-N
MW339.39 g/mol
LogP2.86
Rot. Bonds5

About 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid

3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 124702008) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID124702008
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C19H21N3O3/c23-17(24)9-8-14-5-4-10-22(13-14)19(25)16-11-20-18(21-12-16)15-6-2-1-3-7-15/h1-3,6-7,11-12,14H,4-5,8-10,13H2,(H,23,24)/t14-/m1/s1
InChIKeyQWVVJJIJDXNDCO-CQSZACIVSA-N
XLogP2.86
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536442
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536454
3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid
CID 114326388
3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124701783
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
3-[(3S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]propanoic acid
CID 124700912
3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 90649672
3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
CID 129415483
3-[(3S)-1-[3-(pyrazin-2-ylamino)benzoyl]piperidin-3-yl]propanoic acid
CID 124700883
3-[(3S)-1-(2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124700915
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid (CID 124702008) is 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1.
What is the InChIKey of 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is QWVVJJIJDXNDCO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(24)9-8-14-5-4-10-22(13-14)19(25)16-11-20-18(21-12-16)15-6-2-1-3-7-15/h1-3,6-7,11-12,14H,4-5,8-10,13H2,(H,23,24)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid?
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 339.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124702008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).