3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride

C14H24Cl2N4O — CID 134205519

IUPAC3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCN(C)C1CCCN(C(=O)CCc2ncc(Cl)n2C)C1.Cl
InChIInChI=1S/C14H23ClN4O.ClH/c1-17(2)11-5-4-8-19(10-11)14(20)7-6-13-16-9-12(15)18(13)3;/h9,11H,4-8,10H2,1-3H3;1H
InChIKeyXEMMZCIERGEBEN-UHFFFAOYSA-N
MW335.28 g/mol
LogP1.98
Rot. Bonds4

About 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride

3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 134205519) has the molecular formula C14H24Cl2N4O and a molecular weight of 335.28 g/mol. Its IUPAC name is 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID134205519
Molecular FormulaC14H24Cl2N4O
Molecular Weight335.28 g/mol
Exact Mass334.13
IUPAC Name3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCN(C)C1CCCN(C(=O)CCc2ncc(Cl)n2C)C1.Cl
InChIInChI=1S/C14H23ClN4O.ClH/c1-17(2)11-5-4-8-19(10-11)14(20)7-6-13-16-9-12(15)18(13)3;/h9,11H,4-8,10H2,1-3H3;1H
InChIKeyXEMMZCIERGEBEN-UHFFFAOYSA-N
XLogP1.98
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride with MolForge

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Related Compounds

1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
CID 134205518
2-[2-[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452454
1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
CID 122582722
1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one
CID 141438299
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 155772650
3-[2-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid;hydrochloride
CID 121452438
3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
CID 121452441
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(dimethylamino)azepan-1-yl]ethanone
CID 70709104
7-[2-[3-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 46898190

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 134205519) is 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride is CN(C)C1CCCN(C(=O)CCc2ncc(Cl)n2C)C1.Cl.
What is the InChIKey of 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is XEMMZCIERGEBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O.ClH/c1-17(2)11-5-4-8-19(10-11)14(20)7-6-13-16-9-12(15)18(13)3;/h9,11H,4-8,10H2,1-3H3;1H.
What are the key properties of 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 335.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 134205519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).