N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride

C20H25ClFN3O2S — CID 119481536

IUPACN-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)sc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H24FN3O2S.ClH/c1-13-11-17(27-18(13)14-4-6-16(21)7-5-14)20(26)24-10-2-3-15(12-24)19(25)23-9-8-22;/h4-7,11,15H,2-3,8-10,12,22H2,1H3,(H,23,25);1H
InChIKeyRIFQQZXJTMWLNS-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.21
Rot. Bonds5

About N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119481536) has the molecular formula C20H25ClFN3O2S and a molecular weight of 425.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119481536
Molecular FormulaC20H25ClFN3O2S
Molecular Weight425.96 g/mol
Exact Mass425.13
IUPAC NameN-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)sc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H24FN3O2S.ClH/c1-13-11-17(27-18(13)14-4-6-16(21)7-5-14)20(26)24-10-2-3-15(12-24)19(25)23-9-8-22;/h4-7,11,15H,2-3,8-10,12,22H2,1H3,(H,23,25);1H
InChIKeyRIFQQZXJTMWLNS-UHFFFAOYSA-N
XLogP3.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482473
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone;hydrochloride
CID 119934470
N-(2-aminoethyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481306
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561560
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119375812
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride (CID 119481536) is N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride is Cc1cc(C(=O)N2CCCC(C(=O)NCCN)C2)sc1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is RIFQQZXJTMWLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S.ClH/c1-13-11-17(27-18(13)14-4-6-16(21)7-5-14)20(26)24-10-2-3-15(12-24)19(25)23-9-8-22;/h4-7,11,15H,2-3,8-10,12,22H2,1H3,(H,23,25);1H.
What are the key properties of N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[5-(4-fluorophenyl)-4-methylthiophene-2-carbonyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119481536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).