N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide

C23H28N4O — CID 113029514

IUPACN-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cn1)C1CCC1
InChIInChI=1S/C23H28N4O/c28-23(20-9-4-10-20)25-22-12-11-21(18-24-22)27-16-14-26(15-17-27)13-5-8-19-6-2-1-3-7-19/h1-3,5-8,11-12,18,20H,4,9-10,13-17H2,(H,24,25,28)/b8-5+
InChIKeyMAHLCEBMGSOPCX-VMPITWQZSA-N
MW376.50 g/mol
LogP3.66
Rot. Bonds6

About N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide

N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113029514) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113029514
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cn1)C1CCC1
InChIInChI=1S/C23H28N4O/c28-23(20-9-4-10-20)25-22-12-11-21(18-24-22)27-16-14-26(15-17-27)13-5-8-19-6-2-1-3-7-19/h1-3,5-8,11-12,18,20H,4,9-10,13-17H2,(H,24,25,28)/b8-5+
InChIKeyMAHLCEBMGSOPCX-VMPITWQZSA-N
XLogP3.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]butanamide
CID 113029507
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 32951936
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443
N-cyclopropyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
CID 56862788
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide (CID 113029514) is N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide is O=C(Nc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)cn1)C1CCC1.
What is the InChIKey of N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is MAHLCEBMGSOPCX-VMPITWQZSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23(20-9-4-10-20)25-22-12-11-21(18-24-22)27-16-14-26(15-17-27)13-5-8-19-6-2-1-3-7-19/h1-3,5-8,11-12,18,20H,4,9-10,13-17H2,(H,24,25,28)/b8-5+.
What are the key properties of N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide?
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113029514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).