(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide

C16H23N3O3S — CID 32618864

IUPAC(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H23N3O3S/c17-16(20)15(13-4-2-1-3-5-13)19-9-7-18(8-10-19)14-6-11-23(21,22)12-14/h1-5,14-15H,6-12H2,(H2,17,20)/t14-,15+/m0/s1
InChIKeyULCBMJXHGQGEEX-LSDHHAIUSA-N
MW337.44 g/mol
LogP0.02
Rot. Bonds4

About (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide

(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 32618864) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
PubChem CID32618864
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H23N3O3S/c17-16(20)15(13-4-2-1-3-5-13)19-9-7-18(8-10-19)14-6-11-23(21,22)12-14/h1-5,14-15H,6-12H2,(H2,17,20)/t14-,15+/m0/s1
InChIKeyULCBMJXHGQGEEX-LSDHHAIUSA-N
XLogP0.02
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 32618855
(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 30639724
(2R)-N-(2,5-dimethylphenyl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30641777
(2S)-N-(2,5-dimethylphenyl)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30641796
(2S)-N-(3-chloro-4-methylphenyl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30739823
(2S)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 30723507
2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid
CID 42652402
(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid
CID 29136000
(2R)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 132992813
(2S)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-phenyl-2-(tetrazol-1-yl)ethanone
CID 52996944
2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]aniline
CID 61058786
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide (CID 32618864) is (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide is NC(=O)[C@@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is ULCBMJXHGQGEEX-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N3O3S/c17-16(20)15(13-4-2-1-3-5-13)19-9-7-18(8-10-19)14-6-11-23(21,22)12-14/h1-5,14-15H,6-12H2,(H2,17,20)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide?
(2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 337.44 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 32618864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).