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

C20H24FN3O2S — CID 119436690

IUPACN-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C20H24FN3O2S/c1-12-10-17(23-19(25)14-6-5-7-15(21)11-14)27-18(12)20(26)24-9-4-3-8-16(24)13(2)22/h5-7,10-11,13,16H,3-4,8-9,22H2,1-2H3,(H,23,25)
InChIKeyMRVUYHZAWZIDDH-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.79
Rot. Bonds4

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

N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide (PubChem CID 119436690) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
PubChem CID119436690
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCCC1C(C)N
InChIInChI=1S/C20H24FN3O2S/c1-12-10-17(23-19(25)14-6-5-7-15(21)11-14)27-18(12)20(26)24-9-4-3-8-16(24)13(2)22/h5-7,10-11,13,16H,3-4,8-9,22H2,1-2H3,(H,23,25)
InChIKeyMRVUYHZAWZIDDH-UHFFFAOYSA-N
XLogP3.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.79
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
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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-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide (CID 119436690) is N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N1CCCCC1C(C)N.
What is the InChIKey of N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide?
The InChIKey is MRVUYHZAWZIDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-12-10-17(23-19(25)14-6-5-7-15(21)11-14)27-18(12)20(26)24-9-4-3-8-16(24)13(2)22/h5-7,10-11,13,16H,3-4,8-9,22H2,1-2H3,(H,23,25).
What are the key properties of N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide?
N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide has a molecular weight of 389.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 119436690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).