N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide

C18H25N3O2S — CID 71884106

IUPACN-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide
SMILESCc1sc(NC(=O)C2CC2)c(C(=O)N2CCN(C3CC3)CC2)c1C
InChIInChI=1S/C18H25N3O2S/c1-11-12(2)24-17(19-16(22)13-3-4-13)15(11)18(23)21-9-7-20(8-10-21)14-5-6-14/h13-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyOSLMCXUKTHSNLD-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.63
Rot. Bonds4

About N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide

N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide (PubChem CID 71884106) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide
PubChem CID71884106
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide
SMILESCc1sc(NC(=O)C2CC2)c(C(=O)N2CCN(C3CC3)CC2)c1C
InChIInChI=1S/C18H25N3O2S/c1-11-12(2)24-17(19-16(22)13-3-4-13)15(11)18(23)21-9-7-20(8-10-21)14-5-6-14/h13-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyOSLMCXUKTHSNLD-UHFFFAOYSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide (CID 71884106) is N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide is Cc1sc(NC(=O)C2CC2)c(C(=O)N2CCN(C3CC3)CC2)c1C.
What is the InChIKey of N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is OSLMCXUKTHSNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-11-12(2)24-17(19-16(22)13-3-4-13)15(11)18(23)21-9-7-20(8-10-21)14-5-6-14/h13-14H,3-10H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide?
N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopropylpiperazine-1-carbonyl)-4,5-dimethylthiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71884106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).