N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide

C25H30ClN3O4 — CID 93196592

IUPACN-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCOCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H30ClN3O4/c1-17-5-3-4-6-21(17)23(30)28-22(24(31)27-13-16-33-2)18-11-14-29(15-12-18)25(32)19-7-9-20(26)10-8-19/h3-10,18,22H,11-16H2,1-2H3,(H,27,31)(H,28,30)/t22-/m1/s1
InChIKeyUWEOMZMGKPATIK-JOCHJYFZSA-N
MW471.99 g/mol
LogP3.06
Rot. Bonds8

About N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide

N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 93196592) has the molecular formula C25H30ClN3O4 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
PubChem CID93196592
Molecular FormulaC25H30ClN3O4
Molecular Weight471.99 g/mol
Exact Mass471.19
IUPAC NameN-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
SMILESCOCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H30ClN3O4/c1-17-5-3-4-6-21(17)23(30)28-22(24(31)27-13-16-33-2)18-11-14-29(15-12-18)25(32)19-7-9-20(26)10-8-19/h3-10,18,22H,11-16H2,1-2H3,(H,27,31)(H,28,30)/t22-/m1/s1
InChIKeyUWEOMZMGKPATIK-JOCHJYFZSA-N
XLogP3.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196576
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129
N-[(1R)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93196594
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391
N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198858
N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 42840222
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119
N-[(1S)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196589
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019124
2-fluoro-N-[(1R)-1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93196379

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide (CID 93196592) is N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide is COCCNC(=O)[C@H](NC(=O)c1ccccc1C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
The InChIKey is UWEOMZMGKPATIK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30ClN3O4/c1-17-5-3-4-6-21(17)23(30)28-22(24(31)27-13-16-33-2)18-11-14-29(15-12-18)25(32)19-7-9-20(26)10-8-19/h3-10,18,22H,11-16H2,1-2H3,(H,27,31)(H,28,30)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide?
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 471.99 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 93196592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).