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

C19H22FN3O2S — CID 119468609

IUPACN-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCCC1CN
InChIInChI=1S/C19H22FN3O2S/c1-12-9-16(22-18(24)13-5-4-6-14(20)10-13)26-17(12)19(25)23-8-3-2-7-15(23)11-21/h4-6,9-10,15H,2-3,7-8,11,21H2,1H3,(H,22,24)
InChIKeyGCRQGIBTHGUOAX-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.40
Rot. Bonds4

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

N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide (PubChem CID 119468609) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
PubChem CID119468609
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCCC1CN
InChIInChI=1S/C19H22FN3O2S/c1-12-9-16(22-18(24)13-5-4-6-14(20)10-13)26-17(12)19(25)23-8-3-2-7-15(23)11-21/h4-6,9-10,15H,2-3,7-8,11,21H2,1H3,(H,22,24)
InChIKeyGCRQGIBTHGUOAX-UHFFFAOYSA-N
XLogP3.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide (CID 119468609) is N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCCC1CN.
What is the InChIKey of N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide?
The InChIKey is GCRQGIBTHGUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-12-9-16(22-18(24)13-5-4-6-14(20)10-13)26-17(12)19(25)23-8-3-2-7-15(23)11-21/h4-6,9-10,15H,2-3,7-8,11,21H2,1H3,(H,22,24).
What are the key properties of N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide?
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide has a molecular weight of 375.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 119468609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).