N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide

C20H24N4O2 — CID 167861308

IUPACN-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCc1cc(Cc2ccc(NC(=O)CN3CCNCC3=O)cc2)cc(C)n1
InChIInChI=1S/C20H24N4O2/c1-14-9-17(10-15(2)22-14)11-16-3-5-18(6-4-16)23-19(25)13-24-8-7-21-12-20(24)26/h3-6,9-10,21H,7-8,11-13H2,1-2H3,(H,23,25)
InChIKeyCMPLAHDWWDBCGH-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.66
Rot. Bonds5

About N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide

N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide (PubChem CID 167861308) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide
PubChem CID167861308
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide
SMILESCc1cc(Cc2ccc(NC(=O)CN3CCNCC3=O)cc2)cc(C)n1
InChIInChI=1S/C20H24N4O2/c1-14-9-17(10-15(2)22-14)11-16-3-5-18(6-4-16)23-19(25)13-24-8-7-21-12-20(24)26/h3-6,9-10,21H,7-8,11-13H2,1-2H3,(H,23,25)
InChIKeyCMPLAHDWWDBCGH-UHFFFAOYSA-N
XLogP1.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2,6-dioxopiperidin-4-yl)acetamide
CID 166282551
2-(2-oxopiperazin-1-yl)-N-[4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]acetamide
CID 167886133
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 167787666
N-(6-formyl-1,3-benzothiazol-2-yl)-2-(2-oxopiperazin-1-yl)acetamide
CID 174151523
2-(2-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 62311797
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063836
1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
CID 79260974
N-(2-methylcyclopropyl)-2-(2-oxopiperazin-1-yl)acetamide
CID 119732239
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-[(4-methoxy-3-methylphenyl)methyl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 126789862
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868570
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 135399372

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide (CID 167861308) is N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide is Cc1cc(Cc2ccc(NC(=O)CN3CCNCC3=O)cc2)cc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide?
The InChIKey is CMPLAHDWWDBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-9-17(10-15(2)22-14)11-16-3-5-18(6-4-16)23-19(25)13-24-8-7-21-12-20(24)26/h3-6,9-10,21H,7-8,11-13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide?
N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethyl-4-pyridinyl)methyl]phenyl]-2-(2-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 167861308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).