N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide

C18H25N5O2S — CID 138998784

IUPACN-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCN(C)C(C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1cncn1C
InChIInChI=1S/C18H25N5O2S/c1-21(2)16(15-10-19-12-22(15)3)18(25)23-7-4-14(5-8-23)20-17(24)13-6-9-26-11-13/h6,9-12,14,16H,4-5,7-8H2,1-3H3,(H,20,24)
InChIKeyPSWBXSBGTMMYPJ-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.51
Rot. Bonds5

About N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 138998784) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID138998784
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCN(C)C(C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1cncn1C
InChIInChI=1S/C18H25N5O2S/c1-21(2)16(15-10-19-12-22(15)3)18(25)23-7-4-14(5-8-23)20-17(24)13-6-9-26-11-13/h6,9-12,14,16H,4-5,7-8H2,1-3H3,(H,20,24)
InChIKeyPSWBXSBGTMMYPJ-UHFFFAOYSA-N
XLogP1.51
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 126783823
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-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 47708434
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 75463503
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752043
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
N-[1-[2-(4-methylphenyl)quinoline-4-carbonyl]piperidin-4-yl]thiophene-3-carboxamide
CID 60578200

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide (CID 138998784) is N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide is CN(C)C(C(=O)N1CCC(NC(=O)c2ccsc2)CC1)c1cncn1C.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is PSWBXSBGTMMYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-21(2)16(15-10-19-12-22(15)3)18(25)23-7-4-14(5-8-23)20-17(24)13-6-9-26-11-13/h6,9-12,14,16H,4-5,7-8H2,1-3H3,(H,20,24).
What are the key properties of N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-(3-methylimidazol-4-yl)acetyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 138998784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).