N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride

C15H24ClN3O2S — CID 119482336

IUPACN-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCCc1ccsc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-2-11-5-9-21-13(11)15(20)18-8-3-4-12(10-18)14(19)17-7-6-16;/h5,9,12H,2-4,6-8,10,16H2,1H3,(H,17,19);1H
InChIKeyXJUAQGFJAHOIOF-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.66
Rot. Bonds5

About N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119482336) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119482336
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC NameN-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride
SMILESCCc1ccsc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-2-11-5-9-21-13(11)15(20)18-8-3-4-12(10-18)14(19)17-7-6-16;/h5,9,12H,2-4,6-8,10,16H2,1H3,(H,17,19);1H
InChIKeyXJUAQGFJAHOIOF-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 63252612
ethyl 1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxylate
CID 61340323
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
(3-chloropiperidin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79974966
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479488
N-(2-aminoethyl)-1-(4-methoxythiophene-2-carbonyl)piperidine-3-carboxamide
CID 81121460
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride (CID 119482336) is N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride is CCc1ccsc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is XJUAQGFJAHOIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-2-11-5-9-21-13(11)15(20)18-8-3-4-12(10-18)14(19)17-7-6-16;/h5,9,12H,2-4,6-8,10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.66, 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-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119482336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).