1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

C17H23N5O — CID 129478608

IUPAC1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCN1CCN(C(=O)CCc2ccccn2)C[C@@H]1c1nccn1C
InChIInChI=1S/C17H23N5O/c1-20-11-12-22(13-15(20)17-19-9-10-21(17)2)16(23)7-6-14-5-3-4-8-18-14/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-/m1/s1
InChIKeyIOECNMWVVXWODD-OAHLLOKOSA-N
MW313.40 g/mol
LogP1.26
Rot. Bonds4

About 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 129478608) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID129478608
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCN1CCN(C(=O)CCc2ccccn2)C[C@@H]1c1nccn1C
InChIInChI=1S/C17H23N5O/c1-20-11-12-22(13-15(20)17-19-9-10-21(17)2)16(23)7-6-14-5-3-4-8-18-14/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-/m1/s1
InChIKeyIOECNMWVVXWODD-OAHLLOKOSA-N
XLogP1.26
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one with MolForge

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Related Compounds

3-(furan-3-yl)-1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 128997702
8-methyl-2-(3-pyridin-2-ylpropanoyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50961999
(3R)-N-benzyl-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carboxamide
CID 129478300
1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylbutan-1-one
CID 128992681
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 129334404
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129000463
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129478979
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129478491
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 129478608) is 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is CN1CCN(C(=O)CCc2ccccn2)C[C@@H]1c1nccn1C.
What is the InChIKey of 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is IOECNMWVVXWODD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20-11-12-22(13-15(20)17-19-9-10-21(17)2)16(23)7-6-14-5-3-4-8-18-14/h3-5,8-10,15H,6-7,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 313.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 129478608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).