N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide

C22H27ClN4O4S — CID 93200178

IUPACN-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN4O4S/c1-31-12-9-24-21(29)19(26-20(28)18-6-3-13-32-18)15-7-10-27(11-8-15)22(30)25-17-5-2-4-16(23)14-17/h2-6,13-15,19H,7-12H2,1H3,(H,24,29)(H,25,30)(H,26,28)/t19-/m1/s1
InChIKeyLMHXUUSQXKUEFO-LJQANCHMSA-N
MW479.00 g/mol
LogP3.21
Rot. Bonds8

About N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide (PubChem CID 93200178) has the molecular formula C22H27ClN4O4S and a molecular weight of 479.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
PubChem CID93200178
Molecular FormulaC22H27ClN4O4S
Molecular Weight479.00 g/mol
Exact Mass478.14
IUPAC NameN-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
SMILESCOCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN4O4S/c1-31-12-9-24-21(29)19(26-20(28)18-6-3-13-32-18)15-7-10-27(11-8-15)22(30)25-17-5-2-4-16(23)14-17/h2-6,13-15,19H,7-12H2,1H3,(H,24,29)(H,25,30)(H,26,28)/t19-/m1/s1
InChIKeyLMHXUUSQXKUEFO-LJQANCHMSA-N
XLogP3.21
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.00
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-4-[2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46020635
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
2-chloro-N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]benzamide
CID 46019392
N-(3-chlorophenyl)-4-[(1S)-1-[(4-methoxybenzoyl)amino]-2-oxo-2-(propan-2-ylamino)ethyl]piperidine-1-carboxamide
CID 93200267
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119
N-[1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]thiophene-2-carboxamide
CID 46020204
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
4-[2-oxo-2-(prop-2-enylamino)-1-(thiophene-2-carbonylamino)ethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46020639
3-(3-chlorophenoxy)-N-[3-(thiophene-2-carbonylamino)phenyl]pyrrolidine-1-carboxamide
CID 71907660
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(3-chlorophenyl)-4-[(1R)-2-(diethylamino)-1-[(3-methoxybenzoyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 93200310

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide (CID 93200178) is N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide is COCCNC(=O)[C@H](NC(=O)c1cccs1)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is LMHXUUSQXKUEFO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27ClN4O4S/c1-31-12-9-24-21(29)19(26-20(28)18-6-3-13-32-18)15-7-10-27(11-8-15)22(30)25-17-5-2-4-16(23)14-17/h2-6,13-15,19H,7-12H2,1H3,(H,24,29)(H,25,30)(H,26,28)/t19-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 479.00 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 93200178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).