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

C14H25ClN4O — CID 134205518

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
SMILESCN(C)C1CCCN(C(=O)CCc2nccn2C)C1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-16(2)12-5-4-9-18(11-12)14(19)7-6-13-15-8-10-17(13)3;/h8,10,12H,4-7,9,11H2,1-3H3;1H
InChIKeyYLIQGFKGGPMWED-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.33
Rot. Bonds4

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

1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride (PubChem CID 134205518) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
PubChem CID134205518
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride
SMILESCN(C)C1CCCN(C(=O)CCc2nccn2C)C1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-16(2)12-5-4-9-18(11-12)14(19)7-6-13-15-8-10-17(13)3;/h8,10,12H,4-7,9,11H2,1-3H3;1H
InChIKeyYLIQGFKGGPMWED-UHFFFAOYSA-N
XLogP1.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;sulfuric acid
CID 172727257
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 134205519
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-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one
CID 141438299
1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 126776469
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
CID 134220583
3-[2-(1-methylimidazol-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 114527749
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-propan-2-yloxyethyl)imidazol-2-yl]propan-1-one
CID 134220611

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride (CID 134205518) is 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride is CN(C)C1CCCN(C(=O)CCc2nccn2C)C1.Cl.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride?
The InChIKey is YLIQGFKGGPMWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-16(2)12-5-4-9-18(11-12)14(19)7-6-13-15-8-10-17(13)3;/h8,10,12H,4-7,9,11H2,1-3H3;1H.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride?
1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 134205518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).