N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide

C18H27N3O4S — CID 93196917

IUPACN-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
SMILESCCC(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NCCOC)CC1
InChIInChI=1S/C18H27N3O4S/c1-3-15(22)21-9-6-13(7-10-21)16(18(24)19-8-11-25-2)20-17(23)14-5-4-12-26-14/h4-5,12-13,16H,3,6-11H2,1-2H3,(H,19,24)(H,20,23)/t16-/m1/s1
InChIKeyMYPDEFBLRZIRSH-MRXNPFEDSA-N
MW381.50 g/mol
LogP1.26
Rot. Bonds8

About N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide

N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 93196917) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
PubChem CID93196917
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
SMILESCCC(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NCCOC)CC1
InChIInChI=1S/C18H27N3O4S/c1-3-15(22)21-9-6-13(7-10-21)16(18(24)19-8-11-25-2)20-17(23)14-5-4-12-26-14/h4-5,12-13,16H,3,6-11H2,1-2H3,(H,19,24)(H,20,23)/t16-/m1/s1
InChIKeyMYPDEFBLRZIRSH-MRXNPFEDSA-N
XLogP1.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 71956472
N-(3-chlorophenyl)-4-[2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46020635
N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 93200178
2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46019392
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119
N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 93196885
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 46020204
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 93199147
N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 42840222
4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020639
N-[(1R)-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199723
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019124

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide (CID 93196917) is N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide is CCC(=O)N1CCC([C@@H](NC(=O)c2cccs2)C(=O)NCCOC)CC1.
What is the InChIKey of N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is MYPDEFBLRZIRSH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-3-15(22)21-9-6-13(7-10-21)16(18(24)19-8-11-25-2)20-17(23)14-5-4-12-26-14/h4-5,12-13,16H,3,6-11H2,1-2H3,(H,19,24)(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide?
N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 93196917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).