[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

C18H25N5O — CID 95606570

IUPAC[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1
InChIInChI=1S/C18H25N5O/c1-4-16-19-9-11-23(16)15-6-5-10-22(13-15)18(24)14-7-8-17(20-12-14)21(2)3/h7-9,11-12,15H,4-6,10,13H2,1-3H3/t15-/m1/s1
InChIKeyFQZDANBUCWAFLE-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.38
Rot. Bonds4

About [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95606570) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95606570
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1
InChIInChI=1S/C18H25N5O/c1-4-16-19-9-11-23(16)15-6-5-10-22(13-15)18(24)14-7-8-17(20-12-14)21(2)3/h7-9,11-12,15H,4-6,10,13H2,1-3H3/t15-/m1/s1
InChIKeyFQZDANBUCWAFLE-OAHLLOKOSA-N
XLogP2.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343515
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 81120843
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95341014
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779764
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545
1-[(2S)-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606561
1-[(2S)-2-[(3R)-3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95606560
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (CID 95606570) is [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is FQZDANBUCWAFLE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-16-19-9-11-23(16)15-6-5-10-22(13-15)18(24)14-7-8-17(20-12-14)21(2)3/h7-9,11-12,15H,4-6,10,13H2,1-3H3/t15-/m1/s1.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95606570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).