N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide

C20H25N3O2S — CID 47708434

IUPACN-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCC(C(=O)N(C)c1ccccc1)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-15(20(25)22(2)18-6-4-3-5-7-18)23-11-8-17(9-12-23)21-19(24)16-10-13-26-14-16/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,21,24)
InChIKeyJSKUBWMNJWWBMU-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.99
Rot. Bonds5

About N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47708434) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47708434
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCC(C(=O)N(C)c1ccccc1)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-15(20(25)22(2)18-6-4-3-5-7-18)23-11-8-17(9-12-23)21-19(24)16-10-13-26-14-16/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,21,24)
InChIKeyJSKUBWMNJWWBMU-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550076
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CID 60578368
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 77002400
N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide
CID 138998784
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
N-[1-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 86842848
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[(3R)-1-(dimethylsulfamoyl)azepan-3-yl]thiophene-3-carboxamide
CID 96581050

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide (CID 47708434) is N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide is CC(C(=O)N(C)c1ccccc1)N1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is JSKUBWMNJWWBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15(20(25)22(2)18-6-4-3-5-7-18)23-11-8-17(9-12-23)21-19(24)16-10-13-26-14-16/h3-7,10,13-15,17H,8-9,11-12H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47708434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).