4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide

C19H28N4O3S — CID 46020639

IUPAC4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESC=CCNC(=O)C(NC(=O)c1cccs1)C1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H28N4O3S/c1-4-9-20-18(25)16(22-17(24)15-6-5-12-27-15)14-7-10-23(11-8-14)19(26)21-13(2)3/h4-6,12-14,16H,1,7-11H2,2-3H3,(H,20,25)(H,21,26)(H,22,24)
InChIKeyPFSGPWXEGOPZLQ-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.98
Rot. Bonds7

About 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 46020639) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID46020639
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESC=CCNC(=O)C(NC(=O)c1cccs1)C1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C19H28N4O3S/c1-4-9-20-18(25)16(22-17(24)15-6-5-12-27-15)14-7-10-23(11-8-14)19(26)21-13(2)3/h4-6,12-14,16H,1,7-11H2,2-3H3,(H,20,25)(H,21,26)(H,22,24)
InChIKeyPFSGPWXEGOPZLQ-UHFFFAOYSA-N
XLogP1.98
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]thiophene-2-carboxamide
CID 93196917
N-[(1S)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 93196885
N-[(1R)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199509
N-[(1S)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 93199147
N-[2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 46019236
N-[(1S)-2-(2-methylpropylamino)-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 93196865
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-(prop-2-enylamino)ethyl]-3-methylbenzamide
CID 42840419
4-fluoro-N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 42840244
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 71956472
N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 93200178
N-(3-chlorophenyl)-4-[2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46020635
4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200047

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 46020639) is 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide is C=CCNC(=O)C(NC(=O)c1cccs1)C1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is PFSGPWXEGOPZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-4-9-20-18(25)16(22-17(24)15-6-5-12-27-15)14-7-10-23(11-8-14)19(26)21-13(2)3/h4-6,12-14,16H,1,7-11H2,2-3H3,(H,20,25)(H,21,26)(H,22,24).
What are the key properties of 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 46020639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).