1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one

C13H22N4O — CID 141438299

IUPAC1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one
SMILESCN(C)[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1
InChIInChI=1S/C13H22N4O/c1-16(2)11-4-3-9-17(10-11)13(18)6-5-12-14-7-8-15-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyGZOKYTXYSGEORW-LLVKDONJSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds4

About 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one

1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one (PubChem CID 141438299) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one
PubChem CID141438299
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one
SMILESCN(C)[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1
InChIInChI=1S/C13H22N4O/c1-16(2)11-4-3-9-17(10-11)13(18)6-5-12-14-7-8-15-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyGZOKYTXYSGEORW-LLVKDONJSA-N
XLogP0.89
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 134205519
1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
CID 122582722
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70749732
3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
CID 121452441
1-[3-(dimethylamino)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 78946629
3-[2-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid;hydrochloride
CID 121452438
1-[4-(dimethylamino)azepan-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 56899647
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70740634

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one (CID 141438299) is 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one is CN(C)[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1.
What is the InChIKey of 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one?
The InChIKey is GZOKYTXYSGEORW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16(2)11-4-3-9-17(10-11)13(18)6-5-12-14-7-8-15-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one?
1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one has a molecular weight of 250.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(dimethylamino)piperidin-1-yl]-3-(1H-imidazol-2-yl)propan-1-one is sourced from PubChem (CID 141438299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).