3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide

C24H37N3O3 — CID 46154325

IUPAC3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide
SMILESCC(C)CNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O3/c1-17(2)14-21(28)26-23(24(30)25-16-18(3)4)20-10-12-27(13-11-20)22(29)15-19-8-6-5-7-9-19/h5-9,17-18,20,23H,10-16H2,1-4H3,(H,25,30)(H,26,28)
InChIKeyIXLMVYUGEJMXEQ-UHFFFAOYSA-N
MW415.58 g/mol
LogP2.77
Rot. Bonds9

About 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide

3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide (PubChem CID 46154325) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide
PubChem CID46154325
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide
SMILESCC(C)CNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O3/c1-17(2)14-21(28)26-23(24(30)25-16-18(3)4)20-10-12-27(13-11-20)22(29)15-19-8-6-5-7-9-19/h5-9,17-18,20,23H,10-16H2,1-4H3,(H,25,30)(H,26,28)
InChIKeyIXLMVYUGEJMXEQ-UHFFFAOYSA-N
XLogP2.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide
CID 24719482
3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 46032262
3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 93231303
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methylpropylamino)-2-oxoethyl]-2-methylpropanamide
CID 46154241
2-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019107
4-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46020427
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide
CID 46154317
4-fluoro-N-[(1R)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(propylamino)ethyl]benzamide
CID 93178750
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280
2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 46031954
N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(prop-2-enylamino)ethyl]benzamide
CID 42840460
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 42840475

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide (CID 46154325) is 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide is CC(C)CNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide?
The InChIKey is IXLMVYUGEJMXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-17(2)14-21(28)26-23(24(30)25-16-18(3)4)20-10-12-27(13-11-20)22(29)15-19-8-6-5-7-9-19/h5-9,17-18,20,23H,10-16H2,1-4H3,(H,25,30)(H,26,28).
What are the key properties of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide?
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide has a molecular weight of 415.58 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide is sourced from PubChem (CID 46154325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).