2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide

C18H26N4O2 — CID 154805597

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC1CN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1N
InChIInChI=1S/C18H26N4O2/c1-13-11-22(12-16(13)19)18(24)17(23)20-14-5-7-15(8-6-14)21-9-3-2-4-10-21/h5-8,13,16H,2-4,9-12,19H2,1H3,(H,20,23)
InChIKeyALOAVAKTIPXFLY-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.42
Rot. Bonds2

About 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide

2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 154805597) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID154805597
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC1CN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1N
InChIInChI=1S/C18H26N4O2/c1-13-11-22(12-16(13)19)18(24)17(23)20-14-5-7-15(8-6-14)21-9-3-2-4-10-21/h5-8,13,16H,2-4,9-12,19H2,1H3,(H,20,23)
InChIKeyALOAVAKTIPXFLY-UHFFFAOYSA-N
XLogP1.42
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108504026
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 146108732
ethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)acetyl]piperidine-4-carboxylate
CID 108504241
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 154801013
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
3-methyl-1-(4-piperidin-1-ylphenyl)piperidin-4-amine
CID 63180061
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 108527758
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide (CID 154805597) is 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide is CC1CN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is ALOAVAKTIPXFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-11-22(12-16(13)19)18(24)17(23)20-14-5-7-15(8-6-14)21-9-3-2-4-10-21/h5-8,13,16H,2-4,9-12,19H2,1H3,(H,20,23).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 154805597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).