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

C19H35N3O3 — CID 24719482

IUPAC3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide
SMILESCCC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C19H35N3O3/c1-6-17(24)22-9-7-15(8-10-22)18(19(25)20-12-14(4)5)21-16(23)11-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,25)(H,21,23)
InChIKeyPUZAONRVBQMUNR-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.94
Rot. Bonds8

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

3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide (PubChem CID 24719482) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide
PubChem CID24719482
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide
SMILESCCC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C19H35N3O3/c1-6-17(24)22-9-7-15(8-10-22)18(19(25)20-12-14(4)5)21-16(23)11-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,25)(H,21,23)
InChIKeyPUZAONRVBQMUNR-UHFFFAOYSA-N
XLogP1.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide
CID 46154325
3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 93231303
3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 46032262
4-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46020427
2-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019107
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methylpropylamino)-2-oxoethyl]-2-methylpropanamide
CID 46154241
N-(2-methylpropyl)-4-propanoylpiperazine-1-carboxamide
CID 23963068
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide
CID 46154317
1-[4-(1-bromoethyl)piperidin-1-yl]propan-1-one
CID 106839427
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide (CID 24719482) is 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide is CCC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)NCC(C)C)CC1.
What is the InChIKey of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is PUZAONRVBQMUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-6-17(24)22-9-7-15(8-10-22)18(19(25)20-12-14(4)5)21-16(23)11-13(2)3/h13-15,18H,6-12H2,1-5H3,(H,20,25)(H,21,23).
What are the key properties of 3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide?
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 353.51 g/mol, XLogP of 1.94, 8 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-propanoylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 24719482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).