3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide

C24H37N3O3 — CID 46032262

IUPAC3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
SMILESCc1ccccc1C(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C24H37N3O3/c1-16(2)14-21(28)26-22(23(29)25-15-17(3)4)19-10-12-27(13-11-19)24(30)20-9-7-6-8-18(20)5/h6-9,16-17,19,22H,10-15H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyWNJCZVVGESXSGJ-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.15
Rot. Bonds8

About 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide

3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide (PubChem CID 46032262) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
PubChem CID46032262
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
SMILESCc1ccccc1C(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C24H37N3O3/c1-16(2)14-21(28)26-22(23(29)25-15-17(3)4)19-10-12-27(13-11-19)24(30)20-9-7-6-8-18(20)5/h6-9,16-17,19,22H,10-15H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyWNJCZVVGESXSGJ-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 46031954
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032274
2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93197220
2-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019107
N-[2-(diethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032232
3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 93231303
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide
CID 46154325
2-methyl-N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019117
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93196567
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide
CID 24719482
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide
CID 46019114
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019129

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The IUPAC name of 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide (CID 46032262) is 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide is Cc1ccccc1C(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1.
What is the InChIKey of 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide?
The InChIKey is WNJCZVVGESXSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-16(2)14-21(28)26-22(23(29)25-15-17(3)4)19-10-12-27(13-11-19)24(30)20-9-7-6-8-18(20)5/h6-9,16-17,19,22H,10-15H2,1-5H3,(H,25,29)(H,26,28).
What are the key properties of 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide?
3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide has a molecular weight of 415.58 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 46032262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).