N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

C20H25N3O2S — CID 124507220

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O2S/c1-3-17(16-8-6-15(2)7-9-16)21-20(25)23-12-10-22(11-13-23)19(24)18-5-4-14-26-18/h4-9,14,17H,3,10-13H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyDARBEOXFOISASY-QGZVFWFLSA-N
MW371.51 g/mol
LogP3.68
Rot. Bonds4

About N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (PubChem CID 124507220) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
PubChem CID124507220
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
SMILESCC[C@@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O2S/c1-3-17(16-8-6-15(2)7-9-16)21-20(25)23-12-10-22(11-13-23)19(24)18-5-4-14-26-18/h4-9,14,17H,3,10-13H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyDARBEOXFOISASY-QGZVFWFLSA-N
XLogP3.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 120666745
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
N-methyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 97212820
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
4-cyclohexyloxy-N-[1-(4-methylphenyl)propyl]piperidine-1-carboxamide
CID 86874095
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 93199786
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide (CID 124507220) is N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is CC[C@@H](NC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is DARBEOXFOISASY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-17(16-8-6-15(2)7-9-16)21-20(25)23-12-10-22(11-13-23)19(24)18-5-4-14-26-18/h4-9,14,17H,3,10-13H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide?
N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 124507220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).