N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

C21H22FN3O3S — CID 87026330

IUPACN-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(NC(=O)C4CC4)s3)CC2)cc1F
InChIInChI=1S/C21H22FN3O3S/c1-13-2-3-15(12-16(13)22)20(27)24-8-10-25(11-9-24)21(28)17-6-7-18(29-17)23-19(26)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,23,26)
InChIKeyUXFXILLFDGBOJY-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.14
Rot. Bonds4

About N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide

N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 87026330) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
PubChem CID87026330
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(NC(=O)C4CC4)s3)CC2)cc1F
InChIInChI=1S/C21H22FN3O3S/c1-13-2-3-15(12-16(13)22)20(27)24-8-10-25(11-9-24)21(28)17-6-7-18(29-17)23-19(26)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,23,26)
InChIKeyUXFXILLFDGBOJY-UHFFFAOYSA-N
XLogP3.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 18209373
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
[4-(2-bromoethyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80660633
(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
CID 162697997
N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
CID 47049586
N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide (CID 87026330) is N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(NC(=O)C4CC4)s3)CC2)cc1F.
What is the InChIKey of N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is UXFXILLFDGBOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-13-2-3-15(12-16(13)22)20(27)24-8-10-25(11-9-24)21(28)17-6-7-18(29-17)23-19(26)14-4-5-14/h2-3,6-7,12,14H,4-5,8-11H2,1H3,(H,23,26).
What are the key properties of N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide?
N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 87026330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).