N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide

C18H20N4O2 — CID 120731720

IUPACN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C18H20N4O2/c1-13(23)21-16-6-2-4-14(10-16)18(24)22-9-8-20-12-17(22)15-5-3-7-19-11-15/h2-7,10-11,17,20H,8-9,12H2,1H3,(H,21,23)
InChIKeyOBNIEEFZRQPTDG-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.83
Rot. Bonds3

About N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 120731720) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID120731720
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1
InChIInChI=1S/C18H20N4O2/c1-13(23)21-16-6-2-4-14(10-16)18(24)22-9-8-20-12-17(22)15-5-3-7-19-11-15/h2-7,10-11,17,20H,8-9,12H2,1H3,(H,21,23)
InChIKeyOBNIEEFZRQPTDG-UHFFFAOYSA-N
XLogP1.83
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082
N-[4-fluoro-3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 120731504
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide;hydrochloride
CID 120731577
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732299
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120729515
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730303

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide (CID 120731720) is N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCNCC2c2cccnc2)c1.
What is the InChIKey of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is OBNIEEFZRQPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)21-16-6-2-4-14(10-16)18(24)22-9-8-20-12-17(22)15-5-3-7-19-11-15/h2-7,10-11,17,20H,8-9,12H2,1H3,(H,21,23).
What are the key properties of N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide?
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 120731720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).