N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide

C23H35N3O4 — CID 46032274

IUPACN-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCOCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H35N3O4/c1-16(2)15-20(27)25-21(22(28)24-11-14-30-4)18-9-12-26(13-10-18)23(29)19-8-6-5-7-17(19)3/h5-8,16,18,21H,9-15H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyHGJNEXIRRSCZGP-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.14
Rot. Bonds9

About N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide

N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide (PubChem CID 46032274) has the molecular formula C23H35N3O4 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
PubChem CID46032274
Molecular FormulaC23H35N3O4
Molecular Weight417.55 g/mol
Exact Mass417.26
IUPAC NameN-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
SMILESCOCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H35N3O4/c1-16(2)15-20(27)25-21(22(28)24-11-14-30-4)18-9-12-26(13-10-18)23(29)19-8-6-5-7-17(19)3/h5-8,16,18,21H,9-15H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyHGJNEXIRRSCZGP-UHFFFAOYSA-N
XLogP2.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.14
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-[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
3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 46032262
2-fluoro-N-[(1S)-2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93196391
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580
N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032232
N-[(1R)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196592
N-[1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 42840222
N-[(1R)-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196576
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 46031954
N-[2-(2-methoxyethylamino)-2-oxo-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 46019119
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-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide (CID 46032274) is N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide is COCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is HGJNEXIRRSCZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4/c1-16(2)15-20(27)25-21(22(28)24-11-14-30-4)18-9-12-26(13-10-18)23(29)19-8-6-5-7-17(19)3/h5-8,16,18,21H,9-15H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide?
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 417.55 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 46032274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).