2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride

C15H25ClN4O3 — CID 121452454

About 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride

2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride (PubChem CID 121452454) has the molecular formula C15H25ClN4O3 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
• PubChem CID: 121452454
• Molecular Formula: C15H25ClN4O3
• Molecular Weight: 344.84 g/mol
• Exact Mass: 344.16
• IUPAC Name: 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
• SMILES: CN(C)[C@@H]1CCCN(C(=O)CCc2nccn2CC(=O)O)C1.Cl
• InChI: InChI=1S/C15H24N4O3.ClH/c1-17(2)12-4-3-8-19(10-12)14(20)6-5-13-16-7-9-18(13)11-15(21)22;/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,21,22);1H/t12-;/m1./s1
• InChIKey: CGLWWFYSXQTLET-UTONKHPSSA-N
• XLogP: 0.87
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.84
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride?

The IUPAC name of 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride (CID 121452454) is 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride.

What is the SMILES notation for 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride?

The canonical SMILES for 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride is CN(C)[C@@H]1CCCN(C(=O)CCc2nccn2CC(=O)O)C1.Cl.

What is the InChIKey of 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride?

The InChIKey is CGLWWFYSXQTLET-UTONKHPSSA-N. The full InChI is InChI=1S/C15H24N4O3.ClH/c1-17(2)12-4-3-8-19(10-12)14(20)6-5-13-16-7-9-18(13)11-15(21)22;/h7,9,12H,3-6,8,10-11H2,1-2H3,(H,21,22);1H/t12-;/m1./s1.

What are the key properties of 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride?

2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 121452454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).