3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid

C19H20BrNO3 — CID 120689631

IUPAC3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C19H20BrNO3/c20-17-7-6-14-10-16(5-4-15(14)11-17)19(24)21-9-1-2-13(12-21)3-8-18(22)23/h4-7,10-11,13H,1-3,8-9,12H2,(H,22,23)
InChIKeyVTOUNYALZUZTCV-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.32
Rot. Bonds4

About 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid

3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 120689631) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID120689631
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C19H20BrNO3/c20-17-7-6-14-10-16(5-4-15(14)11-17)19(24)21-9-1-2-13(12-21)3-8-18(22)23/h4-7,10-11,13H,1-3,8-9,12H2,(H,22,23)
InChIKeyVTOUNYALZUZTCV-UHFFFAOYSA-N
XLogP4.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
3-[(3S)-1-(4-bromo-2-methoxybenzoyl)piperidin-3-yl]propanoic acid
CID 124684718
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[1-(3-chloro-4-iodobenzoyl)piperidin-3-yl]propanoic acid
CID 103219048
[3-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80661392
3-[1-[2-(aminomethyl)pyridine-4-carbonyl]piperidin-3-yl]propanoic acid
CID 114326388
3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 90649672
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
3-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124697707
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
CID 120727628
3-[(3S)-1-(1-methylbenzotriazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124698579

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid (CID 120689631) is 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is VTOUNYALZUZTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c20-17-7-6-14-10-16(5-4-15(14)11-17)19(24)21-9-1-2-13(12-21)3-8-18(22)23/h4-7,10-11,13H,1-3,8-9,12H2,(H,22,23).
What are the key properties of 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid?
3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 390.28 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-bromonaphthalene-2-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 120689631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).