(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one

C19H25N3O2 — CID 124616877

IUPAC(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC([C@H](O)c2nccn2C)CC1)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14(15-6-4-3-5-7-15)19(24)22-11-8-16(9-12-22)17(23)18-20-10-13-21(18)2/h3-7,10,13-14,16-17,23H,8-9,11-12H2,1-2H3/t14-,17+/m1/s1
InChIKeySAKJAQFSQBRQEU-PBHICJAKSA-N
MW327.43 g/mol
LogP2.50
Rot. Bonds4

About (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one

(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 124616877) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID124616877
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCC([C@H](O)c2nccn2C)CC1)c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-14(15-6-4-3-5-7-15)19(24)22-11-8-16(9-12-22)17(23)18-20-10-13-21(18)2/h3-7,10,13-14,16-17,23H,8-9,11-12H2,1-2H3/t14-,17+/m1/s1
InChIKeySAKJAQFSQBRQEU-PBHICJAKSA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 99699860
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
3-(1,3-dihydroisoindol-2-yl)-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 91795299
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 97443799
3-benzylsulfanyl-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 135106649
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
CID 111439401
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124750923
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796
(E)-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbut-2-en-1-one
CID 132970323

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one (CID 124616877) is (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one is C[C@@H](C(=O)N1CCC([C@H](O)c2nccn2C)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is SAKJAQFSQBRQEU-PBHICJAKSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(15-6-4-3-5-7-15)19(24)22-11-8-16(9-12-22)17(23)18-20-10-13-21(18)2/h3-7,10,13-14,16-17,23H,8-9,11-12H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one?
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 124616877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).