N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide

C18H20FN3O2S — CID 119380328

IUPACN-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C18H20FN3O2S/c1-11-8-15(21-17(23)12-4-2-5-13(19)9-12)25-16(11)18(24)22-7-3-6-14(20)10-22/h2,4-5,8-9,14H,3,6-7,10,20H2,1H3,(H,21,23)
InChIKeyLSTWRDMYNKDUAZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.01
Rot. Bonds3

About N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide

N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide (PubChem CID 119380328) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
PubChem CID119380328
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC NameN-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C18H20FN3O2S/c1-11-8-15(21-17(23)12-4-2-5-13(19)9-12)25-16(11)18(24)22-7-3-6-14(20)10-22/h2,4-5,8-9,14H,3,6-7,10,20H2,1H3,(H,21,23)
InChIKeyLSTWRDMYNKDUAZ-UHFFFAOYSA-N
XLogP3.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Azd7762
CID 11152667
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 827614
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
1-{4-[4-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide (CID 119380328) is N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCC(N)C1.
What is the InChIKey of N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide?
The InChIKey is LSTWRDMYNKDUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-11-8-15(21-17(23)12-4-2-5-13(19)9-12)25-16(11)18(24)22-7-3-6-14(20)10-22/h2,4-5,8-9,14H,3,6-7,10,20H2,1H3,(H,21,23).
What are the key properties of N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide?
N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide has a molecular weight of 361.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 119380328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).