N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide

C26H26N4O2 — CID 10137293

IUPACN-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc(C=Cc3ccccn3)c2)CC1)Nc1ccccc1
InChIInChI=1S/C26H26N4O2/c31-25(28-24-10-2-1-3-11-24)20-29-15-17-30(18-16-29)26(32)22-8-6-7-21(19-22)12-13-23-9-4-5-14-27-23/h1-14,19H,15-18,20H2,(H,28,31)
InChIKeyFEBLDPNESFBLGY-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.65
Rot. Bonds6

About N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide

N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 10137293) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID10137293
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccc(C=Cc3ccccn3)c2)CC1)Nc1ccccc1
InChIInChI=1S/C26H26N4O2/c31-25(28-24-10-2-1-3-11-24)20-29-15-17-30(18-16-29)26(32)22-8-6-7-21(19-22)12-13-23-9-4-5-14-27-23/h1-14,19H,15-18,20H2,(H,28,31)
InChIKeyFEBLDPNESFBLGY-UHFFFAOYSA-N
XLogP3.65
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 34432781
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 9120373
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 9223624
2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide
CID 39155559
2-[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31152252
2-[4-(4-bromo-3,5-dimethoxybenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31151577
2-[4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149940
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide (CID 10137293) is N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccc(C=Cc3ccccn3)c2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is FEBLDPNESFBLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-25(28-24-10-2-1-3-11-24)20-29-15-17-30(18-16-29)26(32)22-8-6-7-21(19-22)12-13-23-9-4-5-14-27-23/h1-14,19H,15-18,20H2,(H,28,31).
What are the key properties of N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide?
N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-[3-(2-pyridin-2-ylethenyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 10137293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).