2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid

C16H22N2O3 — CID 79612502

IUPAC2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
SMILESCN(C)c1ccc(C(=O)N2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-17(2)14-5-3-13(4-6-14)16(21)18-9-7-12(8-10-18)11-15(19)20/h3-6,12H,7-11H2,1-2H3,(H,19,20)
InChIKeyLUSGCHIDBKHMKH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.08
Rot. Bonds4

About 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid

2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid (PubChem CID 79612502) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
PubChem CID79612502
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
SMILESCN(C)c1ccc(C(=O)N2CCC(CC(=O)O)CC2)cc1
InChIInChI=1S/C16H22N2O3/c1-17(2)14-5-3-13(4-6-14)16(21)18-9-7-12(8-10-18)11-15(19)20/h3-6,12H,7-11H2,1-2H3,(H,19,20)
InChIKeyLUSGCHIDBKHMKH-UHFFFAOYSA-N
XLogP2.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-(1-benzoylpiperidin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 46295005
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605
2-[1-(4-cyanobenzoyl)piperidin-4-yl]acetic acid
CID 78980423
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
2-[1-(3-bromo-4-methylbenzoyl)piperidin-4-yl]acetic acid
CID 81360577
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
2-[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 119178659

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid (CID 79612502) is 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid is CN(C)c1ccc(C(=O)N2CCC(CC(=O)O)CC2)cc1.
What is the InChIKey of 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid?
The InChIKey is LUSGCHIDBKHMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17(2)14-5-3-13(4-6-14)16(21)18-9-7-12(8-10-18)11-15(19)20/h3-6,12H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid?
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79612502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).