(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide

C17H24ClN3O3S — CID 9442631

IUPAC(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O3S/c1-13(17(22)19-15-5-10-25(23,24)12-15)20-6-8-21(9-7-20)16-4-2-3-14(18)11-16/h2-4,11,13,15H,5-10,12H2,1H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyVQPYGJQXRXEIMY-HIFRSBDPSA-N
MW385.92 g/mol
LogP1.15
Rot. Bonds4

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

(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (PubChem CID 9442631) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
PubChem CID9442631
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O3S/c1-13(17(22)19-15-5-10-25(23,24)12-15)20-6-8-21(9-7-20)16-4-2-3-14(18)11-16/h2-4,11,13,15H,5-10,12H2,1H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyVQPYGJQXRXEIMY-HIFRSBDPSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 9442785
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249253
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
(2R)-2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 27015562
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55430489
[4-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17419992
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide
CID 9459828

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The IUPAC name of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide (CID 9442631) is (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide is C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
The InChIKey is VQPYGJQXRXEIMY-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24ClN3O3S/c1-13(17(22)19-15-5-10-25(23,24)12-15)20-6-8-21(9-7-20)16-4-2-3-14(18)11-16/h2-4,11,13,15H,5-10,12H2,1H3,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide?
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide has a molecular weight of 385.92 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide is sourced from PubChem (CID 9442631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).