5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide

C12H17N3O2S — CID 124590095

IUPAC5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H](C)N1
InChIInChI=1S/C12H17N3O2S/c1-7-4-15(5-8(2)14-7)12(17)10-3-9(6-18-10)11(13)16/h3,6-8,14H,4-5H2,1-2H3,(H2,13,16)/t7-,8-/m1/s1
InChIKeyKTECJNIICMGPLS-HTQZYQBOSA-N
MW267.35 g/mol
LogP0.67
Rot. Bonds2

About 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide

5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide (PubChem CID 124590095) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide
PubChem CID124590095
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide
SMILESC[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H](C)N1
InChIInChI=1S/C12H17N3O2S/c1-7-4-15(5-8(2)14-7)12(17)10-3-9(6-18-10)11(13)16/h3,6-8,14H,4-5H2,1-2H3,(H2,13,16)/t7-,8-/m1/s1
InChIKeyKTECJNIICMGPLS-HTQZYQBOSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119564307
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421
5-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 124589177
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
5-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996894
5-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]thiophene-3-carboxamide
CID 96996895
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119564732
5-(4-benzyl-2-methyl-1,4-diazepane-1-carbonyl)thiophene-3-carboxamide
CID 136527442
5-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]thiophene-3-carboxamide
CID 95734857
3-(4-chlorothiophen-2-yl)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589955

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide (CID 124590095) is 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide is C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H](C)N1.
What is the InChIKey of 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide?
The InChIKey is KTECJNIICMGPLS-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7-4-15(5-8(2)14-7)12(17)10-3-9(6-18-10)11(13)16/h3,6-8,14H,4-5H2,1-2H3,(H2,13,16)/t7-,8-/m1/s1.
What are the key properties of 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide?
5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 124590095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).