N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide

C16H25N3O2S — CID 24714771

IUPACN-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide
SMILESCC(C)CNC(=O)C(NC(=O)c1cccs1)C1CCNCC1
InChIInChI=1S/C16H25N3O2S/c1-11(2)10-18-16(21)14(12-5-7-17-8-6-12)19-15(20)13-4-3-9-22-13/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKJNDWXLTDWBZIU-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.62
Rot. Bonds6

About N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide

N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide (PubChem CID 24714771) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide
PubChem CID24714771
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide
SMILESCC(C)CNC(=O)C(NC(=O)c1cccs1)C1CCNCC1
InChIInChI=1S/C16H25N3O2S/c1-11(2)10-18-16(21)14(12-5-7-17-8-6-12)19-15(20)13-4-3-9-22-13/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyKJNDWXLTDWBZIU-UHFFFAOYSA-N
XLogP1.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 93196885
4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
CID 24714532
N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 93196865
N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 46019236
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119385819
4-methoxy-N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 93197423
4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020639
N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
CID 93196917
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 71956472
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 93199147
N-(2-amino-2-cyclopropylethyl)thiophene-2-carboxamide
CID 115301080

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide (CID 24714771) is N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide is CC(C)CNC(=O)C(NC(=O)c1cccs1)C1CCNCC1.
What is the InChIKey of N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is KJNDWXLTDWBZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11(2)10-18-16(21)14(12-5-7-17-8-6-12)19-15(20)13-4-3-9-22-13/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide?
N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24714771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).