N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

C17H24N4O3S — CID 49448249

IUPACN-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)NC(=O)NC3CC3)CC2)s1
InChIInChI=1S/C17H24N4O3S/c1-11-2-5-14(25-11)16(23)18-13-6-8-21(9-7-13)10-15(22)20-17(24)19-12-3-4-12/h2,5,12-13H,3-4,6-10H2,1H3,(H,18,23)(H2,19,20,22,24)
InChIKeyMGAMYOIIUONTFR-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.24
Rot. Bonds5

About N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide

N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (PubChem CID 49448249) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
PubChem CID49448249
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(CC(=O)NC(=O)NC3CC3)CC2)s1
InChIInChI=1S/C17H24N4O3S/c1-11-2-5-14(25-11)16(23)18-13-6-8-21(9-7-13)10-15(22)20-17(24)19-12-3-4-12/h2,5,12-13H,3-4,6-10H2,1H3,(H,18,23)(H2,19,20,22,24)
InChIKeyMGAMYOIIUONTFR-UHFFFAOYSA-N
XLogP1.24
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448378
N-[1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448028
N-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 111332774
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
N-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 75470831
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 120899451
N-(cyclopropylcarbamoyl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]acetamide
CID 33024172
N-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49414960
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685360
5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361294
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
N-(cyclopropylcarbamoyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131574

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide (CID 49448249) is N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CCN(CC(=O)NC(=O)NC3CC3)CC2)s1.
What is the InChIKey of N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is MGAMYOIIUONTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-11-2-5-14(25-11)16(23)18-13-6-8-21(9-7-13)10-15(22)20-17(24)19-12-3-4-12/h2,5,12-13H,3-4,6-10H2,1H3,(H,18,23)(H2,19,20,22,24).
What are the key properties of N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide?
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 49448249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).