N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

C18H20N4O2 — CID 86920409

IUPACN-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H20N4O2/c1-14(23)15-2-4-16(5-3-15)20-18(24)22-12-10-21(11-13-22)17-6-8-19-9-7-17/h2-9H,10-13H2,1H3,(H,20,24)
InChIKeyWXCRROHGHFCGKD-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.64
Rot. Bonds3

About N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86920409) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86920409
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H20N4O2/c1-14(23)15-2-4-16(5-3-15)20-18(24)22-12-10-21(11-13-22)17-6-8-19-9-7-17/h2-9H,10-13H2,1H3,(H,20,24)
InChIKeyWXCRROHGHFCGKD-UHFFFAOYSA-N
XLogP2.64
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
4-(4-acetylphenyl)-N-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 118770158
N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899814
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133
4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
CID 86988135
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86920409) is N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is WXCRROHGHFCGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14(23)15-2-4-16(5-3-15)20-18(24)22-12-10-21(11-13-22)17-6-8-19-9-7-17/h2-9H,10-13H2,1H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86920409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).