N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide

C24H32N4O3S — CID 42751350

IUPACN-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C24H32N4O3S/c1-18-6-9-28(10-7-18)21-5-4-19(26-24(30)22-3-2-16-32-22)17-20(21)23(29)25-8-11-27-12-14-31-15-13-27/h2-5,16-18H,6-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyAKWLLYAKRCIKFB-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.30
Rot. Bonds7

About N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 42751350) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID42751350
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C24H32N4O3S/c1-18-6-9-28(10-7-18)21-5-4-19(26-24(30)22-3-2-16-32-22)17-20(21)23(29)25-8-11-27-12-14-31-15-13-27/h2-5,16-18H,6-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyAKWLLYAKRCIKFB-UHFFFAOYSA-N
XLogP3.30
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(3-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42751462
5-(2-ethylhexanoylamino)-2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751352
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5234942
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 26244501
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
N-[3-[2-(diethylamino)ethylcarbamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 42756086
5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063900
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-[(2-phenylmethoxyacetyl)amino]benzamide
CID 42751459
2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1063922
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751292
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 3520444

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 42751350) is N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide is CC1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is AKWLLYAKRCIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-18-6-9-28(10-7-18)21-5-4-19(26-24(30)22-3-2-16-32-22)17-20(21)23(29)25-8-11-27-12-14-31-15-13-27/h2-5,16-18H,6-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 456.61 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 42751350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).