2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide

C21H31N3O3 — CID 146108732

IUPAC2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(C)(O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H31N3O3/c1-21(2,27)16-10-14-24(15-11-16)20(26)19(25)22-17-6-8-18(9-7-17)23-12-4-3-5-13-23/h6-9,16,27H,3-5,10-15H2,1-2H3,(H,22,25)
InChIKeyPWZLJSLMDKQAFW-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.62
Rot. Bonds3

About 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide

2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 146108732) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID146108732
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC(C)(O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C21H31N3O3/c1-21(2,27)16-10-14-24(15-11-16)20(26)19(25)22-17-6-8-18(9-7-17)23-12-4-3-5-13-23/h6-9,16,27H,3-5,10-15H2,1-2H3,(H,22,25)
InChIKeyPWZLJSLMDKQAFW-UHFFFAOYSA-N
XLogP2.62
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.62
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

ethyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)acetyl]piperidine-4-carboxylate
CID 108504241
2-(3-amino-4-methylpyrrolidin-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 154805597
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 108527758
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide
CID 154801013
4-tert-butyl-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110355
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108986173
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide (CID 146108732) is 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide is CC(C)(O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PWZLJSLMDKQAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-21(2,27)16-10-14-24(15-11-16)20(26)19(25)22-17-6-8-18(9-7-17)23-12-4-3-5-13-23/h6-9,16,27H,3-5,10-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide?
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxo-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 146108732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).