1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C17H21N3OS — CID 94599269

IUPAC1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2nccs2)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-19-10-11-20(15(13-19)14-5-3-2-4-6-14)17(21)8-7-16-18-9-12-22-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3/t15-/m0/s1
InChIKeyNRMICHYNDZAZJS-HNNXBMFYSA-N
MW315.44 g/mol
LogP2.59
Rot. Bonds4

About 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 94599269) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID94599269
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCN1CCN(C(=O)CCc2nccs2)[C@H](c2ccccc2)C1
InChIInChI=1S/C17H21N3OS/c1-19-10-11-20(15(13-19)14-5-3-2-4-6-14)17(21)8-7-16-18-9-12-22-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3/t15-/m0/s1
InChIKeyNRMICHYNDZAZJS-HNNXBMFYSA-N
XLogP2.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-Benzyl-2-oxo-piperazin-1-yl)-N-[(R)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
CID 44376056
2-(4-benzyl-2-oxopiperazin-1-yl)-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]acetamide
CID 44453410
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-(4-phenylphenyl)-2-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 118727639
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CID 164610288
3-[Benzyl(propan-2-yl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232154
3-[Benzyl(tert-butyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232155
3-[Benzyl(ethyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232156
3-[Benzyl(methyl)amino]-1-(1,3-thiazol-2-yl)propan-1-one
CID 46232200
(3-Fluorophenyl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 94599269) is 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is CN1CCN(C(=O)CCc2nccs2)[C@H](c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is NRMICHYNDZAZJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-19-10-11-20(15(13-19)14-5-3-2-4-6-14)17(21)8-7-16-18-9-12-22-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 315.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 94599269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).