4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide

C17H25N3O2 — CID 119749212

IUPAC4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
SMILESCNCCCC(=O)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C17H25N3O2/c1-18-11-4-5-16(21)19-13-14-7-9-15(10-8-14)20-12-3-2-6-17(20)22/h7-10,18H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyIEZAACRMZDXIJP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.82
Rot. Bonds7

About 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide

4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide (PubChem CID 119749212) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
PubChem CID119749212
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
SMILESCNCCCC(=O)NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C17H25N3O2/c1-18-11-4-5-16(21)19-13-14-7-9-15(10-8-14)20-12-3-2-6-17(20)22/h7-10,18H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyIEZAACRMZDXIJP-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18119409
2-(1-hydroxycyclopentyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide
CID 111537212
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520
3-(4-acetylphenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 34236405

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide (CID 119749212) is 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide is CNCCCC(=O)NCc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide?
The InChIKey is IEZAACRMZDXIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-18-11-4-5-16(21)19-13-14-7-9-15(10-8-14)20-12-3-2-6-17(20)22/h7-10,18H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide?
4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide has a molecular weight of 303.41 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 119749212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).