N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride

C16H26ClN3O3S — CID 120590841

IUPACN-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCOC(CN)CC(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-11-3-4-14(23-11)16(21)18-12-5-7-19(8-6-12)15(20)9-13(10-17)22-2;/h3-4,12-13H,5-10,17H2,1-2H3,(H,18,21);1H
InChIKeyDBBXWJJTTHTWEJ-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.56
Rot. Bonds6

About N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride

N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 120590841) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
PubChem CID120590841
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCOC(CN)CC(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-11-3-4-14(23-11)16(21)18-12-5-7-19(8-6-12)15(20)9-13(10-17)22-2;/h3-4,12-13H,5-10,17H2,1-2H3,(H,18,21);1H
InChIKeyDBBXWJJTTHTWEJ-UHFFFAOYSA-N
XLogP1.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 49361294
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
5-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119938169
N-[1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60607207
N-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49414960
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
CID 103155078
5-tert-butyl-N-[1-(3-methoxypropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515960
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448249
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 103155063
N-[1-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride (CID 120590841) is N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride is COC(CN)CC(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1.Cl.
What is the InChIKey of N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is DBBXWJJTTHTWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-11-3-4-14(23-11)16(21)18-12-5-7-19(8-6-12)15(20)9-13(10-17)22-2;/h3-4,12-13H,5-10,17H2,1-2H3,(H,18,21);1H.
What are the key properties of N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride?
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120590841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).